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

C18H22N2 — CID 115117252

IUPAC1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
SMILESCN(c1ccc(-c2ccccc2)cc1)C1CCCC1N
InChIInChI=1S/C18H22N2/c1-20(18-9-5-8-17(18)19)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18H,5,8-9,19H2,1H3
InChIKeyGHYOOUFDTXMPOR-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.67
Rot. Bonds3

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

1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine (PubChem CID 115117252) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
PubChem CID115117252
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
SMILESCN(c1ccc(-c2ccccc2)cc1)C1CCCC1N
InChIInChI=1S/C18H22N2/c1-20(18-9-5-8-17(18)19)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18H,5,8-9,19H2,1H3
InChIKeyGHYOOUFDTXMPOR-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine (CID 115117252) is 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine is CN(c1ccc(-c2ccccc2)cc1)C1CCCC1N.
What is the InChIKey of 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine?
The InChIKey is GHYOOUFDTXMPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(18-9-5-8-17(18)19)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-4,6-7,10-13,17-18H,5,8-9,19H2,1H3.
What are the key properties of 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine?
1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 115117252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).