1-N-(4-phenylphenyl)cyclopentane-1,2-diamine

C17H20N2 — CID 115117122

IUPAC1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c18-16-7-4-8-17(16)19-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-17,19H,4,7-8,18H2
InChIKeyZNHLIUKFLNEJNR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.65
Rot. Bonds3

About 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine

1-N-(4-phenylphenyl)cyclopentane-1,2-diamine (PubChem CID 115117122) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
PubChem CID115117122
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c18-16-7-4-8-17(16)19-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-17,19H,4,7-8,18H2
InChIKeyZNHLIUKFLNEJNR-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-phenylphenyl)cyclohexane-1,2-diamine
CID 115117777
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
CID 102571486
4-[(2-aminocyclohexyl)amino]benzoic acid
CID 62230691
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
N-cyclopropyl-4-phenylaniline
CID 83702708
1-N-(3,4-difluorophenyl)cyclopentane-1,2-diamine
CID 102571502
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
N-(2,6-dimethylcyclohexyl)-4-phenylaniline
CID 43716849

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine (CID 115117122) is 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine is NC1CCCC1Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine?
The InChIKey is ZNHLIUKFLNEJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-16-7-4-8-17(16)19-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16-17,19H,4,7-8,18H2.
What are the key properties of 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine?
1-N-(4-phenylphenyl)cyclopentane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-phenylphenyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 115117122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).