CAS 439081-52-4|N-Methyl(tetrahydro-2H-pyran-4-yl)methanamine|methyl(oxan-4-ylmethyl)amine|methyl(oxan-4-ylmethyl)amine|N-Methyl-1-(tetrahydro-2H-pyran-4-yl)methylamine|4-[(Methylamino)methyl]tetrah...

General Information

Structure

Molecular Formula

C₇H₁₅NO

Molecular Mass

129.2001

Exact Mass

129.11536411

Charge

InChI

InChI=1S/C7H15NO/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3

InChIKey

WMBCUXKYKVTJRF-UHFFFAOYSA-N

Canonic Smiles

CNCC1CCOCC1

Isomeric Smiles

N(C)CC1CCOCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.007907

LogD (pH = 7.4)

-2.7214286

Log P

0.22890837

Molar Refractivity

37.9869

Polarizability

15.112169

Polar Surface Area

21.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-Methyl(tetrahydro-2H-pyran-4-yl)methanamineN-Methyl-1-(tetrahydro-2H-pyran-4-yl)methylamine4-[(Methylamino)methyl]tetrahydro-2H-pyranN-methyl-1-(tetrahydro-2H-pyran-4-yl)methanamineMETHYL-(TETRAHYDRO-PYRAN-4-YLMETHYL)-AMINEN-methyl-(tetrahydropyran-4-ylmethyl)aminemethyl(oxan-4-ylmethyl)amine

IUPAC name

methyl(oxan-4-ylmethyl)amine methyl[(oxan-4-yl)methyl]amine

IUPAC Traditional name

methyl(oxan-4-ylmethyl)amine

Names and Identifiers

Registration numbers

MDL Number

MFCD06739009

CAS Number

439081-52-4

PubChem SID

162029612