(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine

C15H21N — CID 40641093

IUPAC(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
SMILESC[C@H](NC[C@@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C15H21N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-4,6-7,10-11,13-14,16H,5,8-9,12H2,1H3/t13-,14+/m0/s1
InChIKeyKZKNIXBYYIZQIH-UONOGXRCSA-N
MW215.34 g/mol
LogP3.69
Rot. Bonds4

About (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine

(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine (PubChem CID 40641093) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
PubChem CID40641093
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
SMILESC[C@H](NC[C@@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C15H21N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-4,6-7,10-11,13-14,16H,5,8-9,12H2,1H3/t13-,14+/m0/s1
InChIKeyKZKNIXBYYIZQIH-UONOGXRCSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine 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

N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225625
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163
(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209165
N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 113226908
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine (CID 40641093) is (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine is C[C@H](NC[C@@H]1CC=CCC1)c1ccccc1.
What is the InChIKey of (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine?
The InChIKey is KZKNIXBYYIZQIH-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-4,6-7,10-11,13-14,16H,5,8-9,12H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine?
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine has a molecular weight of 215.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 40641093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).