CAS 68737-65-5|CAS 67579-81-1|(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine|(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine|(1R,2R)-N1,N2-Dimethylcyclohexane-1,2-diamine|trans-N,N′-Dimethylcycloh...

General Information

Structure

Molecular Formula

C₈H₁₈N₂

Molecular Mass

142.24192

Exact Mass

142.14699859

Charge

InChI

InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1

InChIKey

JRHPOFJADXHYBR-HTQZYQBOSA-N

Canonic Smiles

CN[C@@H]1CCCC[C@H]1NC

Isomeric Smiles

[C@@H]1([C@@H](CCCC1)NC)NC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-4.1429214

LogD (pH = 7.4)

-2.0264766

Log P

0.85718703

Molar Refractivity

43.5012

Polarizability

17.811394

Polar Surface Area

24.06

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

IUPAC name

(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

Synonyms

(1R,2R)-N1,N2-Dimethylcyclohexane-1,2-diaminetrans-N,N′-Dimethylcyclohexane-1,2-diamine反-N,N′-二甲基环己烷-1,2-二胺trans-N1,N2-Dimethylcyclohexane-1,2-diamine(R,R)-(-)-N,N′-Dimethyl-1,2-cyclohexanediamine反式-1,2-双(甲氨基)环己烷(R,R)-(-)-N,N′-Dimethyl-1,2-diaminocyclohexane(R,R)-(-)-N,N′-二甲基-1,2-二氨基环己烷trans-1,2-Bis(methylamino)cyclohexane(R,R)-(-)-N,N′-二甲基-1,2-环己二胺(1R,2R)-N,N'-Dimethyl-1,2-cyclohexanediamine

Names and Identifiers

Registration numbers

CAS Number

68737-65-567579-81-1

MDL Number

MFCD03001702MFCD00671527

PubChem SID

2488253624885095162036148

PubChem CID

2733821

Registration numbers

Properties