3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile

C16H22N2 — CID 64538839

IUPAC3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
SMILESCC1CCCC(NCC(C#N)c2ccccc2)C1
InChIInChI=1S/C16H22N2/c1-13-6-5-9-16(10-13)18-12-15(11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16,18H,5-6,9-10,12H2,1H3
InChIKeyMJLZIKZGJRNXLV-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.46
Rot. Bonds4

About 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile

3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile (PubChem CID 64538839) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
PubChem CID64538839
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
SMILESCC1CCCC(NCC(C#N)c2ccccc2)C1
InChIInChI=1S/C16H22N2/c1-13-6-5-9-16(10-13)18-12-15(11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16,18H,5-6,9-10,12H2,1H3
InChIKeyMJLZIKZGJRNXLV-UHFFFAOYSA-N
XLogP3.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile 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

3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
3-[2-(3-methylcyclohexyl)ethylamino]-2-phenylpropanenitrile
CID 64536641
3-[(2,3-dimethylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64533581
3-[(3-methoxycyclobutyl)amino]-2-phenylpropanenitrile
CID 114119351
2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 62877360
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
3-(cyclobutylmethylamino)-2-phenylpropanenitrile
CID 64538638
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylpropanenitrile
CID 104967466
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-phenylpropanenitrile
CID 64536221
N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 43079693

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile?
The IUPAC name of 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile (CID 64538839) is 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile is CC1CCCC(NCC(C#N)c2ccccc2)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile?
The InChIKey is MJLZIKZGJRNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-13-6-5-9-16(10-13)18-12-15(11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16,18H,5-6,9-10,12H2,1H3.
What are the key properties of 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile?
3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile has a molecular weight of 242.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 64538839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).