(1R)-1-(4-phenylphenyl)pentane-1,5-diamine

C17H22N2 — CID 171208421

IUPAC(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H22N2/c18-13-5-4-8-17(19)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,18-19H2/t17-/m1/s1
InChIKeyLOPFBMBUPDUMKL-QGZVFWFLSA-N
MW254.38 g/mol
LogP3.48
Rot. Bonds6

About (1R)-1-(4-phenylphenyl)pentane-1,5-diamine

(1R)-1-(4-phenylphenyl)pentane-1,5-diamine (PubChem CID 171208421) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (1R)-1-(4-phenylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
PubChem CID171208421
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H22N2/c18-13-5-4-8-17(19)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,18-19H2/t17-/m1/s1
InChIKeyLOPFBMBUPDUMKL-QGZVFWFLSA-N
XLogP3.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-phenylphenyl)propane-1,3-diamine
CID 171208417
(1R)-1-(3-phenylphenyl)butane-1,4-diamine
CID 171214569
6-amino-6-(4-phenylphenyl)hexanamide
CID 60862321
(1R)-3-fluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
CID 171208436
1-(4-phenylphenyl)butan-1-amine
CID 43197430
3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
CID 171228019
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
1-(4-nitrosophenyl)hexane-1,6-diamine
CID 172725647
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(1S)-1-(4-nitrophenyl)pentane-1,5-diamine
CID 171217751

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-phenylphenyl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(4-phenylphenyl)pentane-1,5-diamine (CID 171208421) is (1R)-1-(4-phenylphenyl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(4-phenylphenyl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(4-phenylphenyl)pentane-1,5-diamine is NCCCC[C@@H](N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1R)-1-(4-phenylphenyl)pentane-1,5-diamine?
The InChIKey is LOPFBMBUPDUMKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2/c18-13-5-4-8-17(19)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13,18-19H2/t17-/m1/s1.
What are the key properties of (1R)-1-(4-phenylphenyl)pentane-1,5-diamine?
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-phenylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 171208421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).