CAS 176445-80-0|[4-(Aminomethyl)tetrahydro-2H-pyran-4-yl]-dimethylamine|4-(aminomethyl)-N,N-dimethyloxan-4-amine|4-(aminomethyl)-N,N-dimethyloxan-4-amine|4-(aminomethyl)-N,N-dimethyloxan-4-amine|4-(...

General Information

Structure

Molecular Formula

C₈H₁₈N₂O

Molecular Mass

158.24132

Exact Mass

158.14191321

Charge

InChI

InChI=1S/C8H18N2O/c1-10(2)8(7-9)3-5-11-6-4-8/h3-7,9H2,1-2H3

InChIKey

KCLFWPREWYWLTP-UHFFFAOYSA-N

Canonic Smiles

NCC1(CCOCC1)N(C)C

Isomeric Smiles

C1COCCC1(CN)N(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-5.7072477

LogD (pH = 7.4)

-3.3944502

Log P

-0.7218595

Molar Refractivity

46.303

Polarizability

18.481222

Polar Surface Area

38.49

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

[4-(Aminomethyl)tetrahydro-2H-pyran-4-yl]-dimethylamine4-(aminomethyl)-N,N-dimethyloxan-4-amine4-(aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine4-(Aminomethyl)-4-(dimethylamino)tetrahydro-2H-pyran 95%4-(Aminomethyl)-N,N-dimethyltetrahydro-2H-pyran-4-amine

IUPAC name

4-(aminomethyl)-N,N-dimethyloxan-4-amine

IUPAC Traditional name

4-(aminomethyl)-N,N-dimethyloxan-4-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD09065027

CAS Number

176445-80-0

PubChem SID

162062840