4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile

C17H24N2 — CID 116955276

IUPAC4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile
SMILESCNC(CCC#N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24N2/c1-19-17(8-5-13-18)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h9-12,14,17,19H,2-8H2,1H3
InChIKeyVQTZYXMUKJYKDV-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.30
Rot. Bonds5

About 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile

4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile (PubChem CID 116955276) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile
PubChem CID116955276
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile
SMILESCNC(CCC#N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24N2/c1-19-17(8-5-13-18)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h9-12,14,17,19H,2-8H2,1H3
InChIKeyVQTZYXMUKJYKDV-UHFFFAOYSA-N
XLogP4.30
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
CID 79977505
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
[1-(4-cyclobutylphenyl)-2-cycloheptylethyl]hydrazine
CID 105338120

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile?
The IUPAC name of 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile (CID 116955276) is 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile?
The canonical SMILES for 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile is CNC(CCC#N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile?
The InChIKey is VQTZYXMUKJYKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-19-17(8-5-13-18)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h9-12,14,17,19H,2-8H2,1H3.
What are the key properties of 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile?
4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile has a molecular weight of 256.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile is sourced from PubChem (CID 116955276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).