1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile

C17H24N2 — CID 65087940

IUPAC1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile
SMILESCC1(C)CCCC(C#N)(NCc2ccccc2)CC1
InChIInChI=1S/C17H24N2/c1-16(2)9-6-10-17(14-18,12-11-16)19-13-15-7-4-3-5-8-15/h3-5,7-8,19H,6,9-13H2,1-2H3
InChIKeyMWWWQMNCXPRTPN-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.03
Rot. Bonds3

About 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile

1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile (PubChem CID 65087940) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile
PubChem CID65087940
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile
SMILESCC1(C)CCCC(C#N)(NCc2ccccc2)CC1
InChIInChI=1S/C17H24N2/c1-16(2)9-6-10-17(14-18,12-11-16)19-13-15-7-4-3-5-8-15/h3-5,7-8,19H,6,9-13H2,1-2H3
InChIKeyMWWWQMNCXPRTPN-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702687
1-(2-chloroanilino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65088540
4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide
CID 83269180
1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 28702750
1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile
CID 22898535
N-benzyl-1-(2-trimethylsilylethynyl)cyclohexan-1-amine
CID 11243123
N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
2-(benzylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carbonitrile
CID 130873725
1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65088439
1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702688
1-(2-azidoethylamino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 66189797
1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702708

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile?
The IUPAC name of 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile (CID 65087940) is 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile?
The canonical SMILES for 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile is CC1(C)CCCC(C#N)(NCc2ccccc2)CC1.
What is the InChIKey of 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile?
The InChIKey is MWWWQMNCXPRTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-16(2)9-6-10-17(14-18,12-11-16)19-13-15-7-4-3-5-8-15/h3-5,7-8,19H,6,9-13H2,1-2H3.
What are the key properties of 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile?
1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile has a molecular weight of 256.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile is sourced from PubChem (CID 65087940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).