2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile

C17H24N2 — CID 43102820

IUPAC2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
SMILESCC1CCC(C(C)C)C(Nc2ccccc2C#N)C1
InChIInChI=1S/C17H24N2/c1-12(2)15-9-8-13(3)10-17(15)19-16-7-5-4-6-14(16)11-18/h4-7,12-13,15,17,19H,8-10H2,1-3H3
InChIKeyUAAUJMDDYZFLHD-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.43
Rot. Bonds3

About 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile

2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile (PubChem CID 43102820) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
PubChem CID43102820
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
SMILESCC1CCC(C(C)C)C(Nc2ccccc2C#N)C1
InChIInChI=1S/C17H24N2/c1-12(2)15-9-8-13(3)10-17(15)19-16-7-5-4-6-14(16)11-18/h4-7,12-13,15,17,19H,8-10H2,1-3H3
InChIKeyUAAUJMDDYZFLHD-UHFFFAOYSA-N
XLogP4.43
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 63477106
2-chloro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43686839
2-[(2-methylcyclobutyl)amino]benzonitrile
CID 130554324
2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-3-nitroaniline
CID 43719610
2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447813
2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 138978245
2-(2-cyanoanilino)cyclobutane-1-carboxylic acid
CID 103234319
2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
CID 43719065
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 43728096
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile (CID 43102820) is 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile is CC1CCC(C(C)C)C(Nc2ccccc2C#N)C1.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile?
The InChIKey is UAAUJMDDYZFLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12(2)15-9-8-13(3)10-17(15)19-16-7-5-4-6-14(16)11-18/h4-7,12-13,15,17,19H,8-10H2,1-3H3.
What are the key properties of 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile?
2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile is sourced from PubChem (CID 43102820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).