2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile

C16H22N2 — CID 107447813

IUPAC2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
SMILESCC(C)C1CCCC(Nc2ccccc2C#N)C1
InChIInChI=1S/C16H22N2/c1-12(2)13-7-5-8-15(10-13)18-16-9-4-3-6-14(16)11-17/h3-4,6,9,12-13,15,18H,5,7-8,10H2,1-2H3
InChIKeyRMMCXTCSCZTMIA-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.18
Rot. Bonds3

About 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile

2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile (PubChem CID 107447813) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
PubChem CID107447813
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
SMILESCC(C)C1CCCC(Nc2ccccc2C#N)C1
InChIInChI=1S/C16H22N2/c1-12(2)13-7-5-8-15(10-13)18-16-9-4-3-6-14(16)11-17/h3-4,6,9,12-13,15,18H,5,7-8,10H2,1-2H3
InChIKeyRMMCXTCSCZTMIA-UHFFFAOYSA-N
XLogP4.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)benzonitrile
CID 10535560
2-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448138
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
3-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447814
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43102820
2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline
CID 107448012
2-[(2-methylcyclobutyl)amino]benzonitrile
CID 130554324
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile
CID 106658043

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile?
The IUPAC name of 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile (CID 107447813) is 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile is CC(C)C1CCCC(Nc2ccccc2C#N)C1.
What is the InChIKey of 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile?
The InChIKey is RMMCXTCSCZTMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(2)13-7-5-8-15(10-13)18-16-9-4-3-6-14(16)11-17/h3-4,6,9,12-13,15,18H,5,7-8,10H2,1-2H3.
What are the key properties of 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile?
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile has a molecular weight of 242.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 107447813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).