(1S)-1,2-dicyclohexylethanamine

C14H27N — CID 44574818

IUPAC(1S)-1,2-dicyclohexylethanamine
SMILESN[C@@H](CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H27N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12-14H,1-11,15H2/t14-/m0/s1
InChIKeyYCWXDAZPJWCKFL-AWEZNQCLSA-N
MW209.38 g/mol
LogP3.86
Rot. Bonds3

About (1S)-1,2-dicyclohexylethanamine

(1S)-1,2-dicyclohexylethanamine (PubChem CID 44574818) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (1S)-1,2-dicyclohexylethanamine.

Molecular Properties

Compound Name(1S)-1,2-dicyclohexylethanamine
PubChem CID44574818
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(1S)-1,2-dicyclohexylethanamine
SMILESN[C@@H](CC1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H27N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12-14H,1-11,15H2/t14-/m0/s1
InChIKeyYCWXDAZPJWCKFL-AWEZNQCLSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1,2-dicyclohexylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cycloheptyl-1-cyclopentylethanamine
CID 115779065
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
1,2-di(cyclobutyl)ethanamine
CID 65456758
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
2-cyclohexyl-1-(4-ethylcyclohexyl)ethanamine
CID 65394351
1,2-dicyclohexylethylcyclohexane
CID 158413043
(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethanamine
CID 141086747
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
CID 174274064
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
(1-cycloheptyl-2-cyclohexylethyl)hydrazine
CID 105231955
1,3-dicyclopentylpropan-2-amine
CID 58122660

Frequently Asked Questions

What is the IUPAC name of (1S)-1,2-dicyclohexylethanamine?
The IUPAC name of (1S)-1,2-dicyclohexylethanamine (CID 44574818) is (1S)-1,2-dicyclohexylethanamine.
What is the SMILES notation for (1S)-1,2-dicyclohexylethanamine?
The canonical SMILES for (1S)-1,2-dicyclohexylethanamine is N[C@@H](CC1CCCCC1)C1CCCCC1.
What is the InChIKey of (1S)-1,2-dicyclohexylethanamine?
The InChIKey is YCWXDAZPJWCKFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h12-14H,1-11,15H2/t14-/m0/s1.
What are the key properties of (1S)-1,2-dicyclohexylethanamine?
(1S)-1,2-dicyclohexylethanamine has a molecular weight of 209.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,2-dicyclohexylethanamine is sourced from PubChem (CID 44574818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).