2-phenylpentane-1,5-diamine

C11H18N2 — CID 22770284

IUPAC2-phenylpentane-1,5-diamine
SMILESNCCCC(CN)c1ccccc1
InChIInChI=1S/C11H18N2/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12-13H2
InChIKeyASLIRPJDOQNQLI-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.47
Rot. Bonds5

About 2-phenylpentane-1,5-diamine

2-phenylpentane-1,5-diamine (PubChem CID 22770284) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-phenylpentane-1,5-diamine.

Molecular Properties

Compound Name2-phenylpentane-1,5-diamine
PubChem CID22770284
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-phenylpentane-1,5-diamine
SMILESNCCCC(CN)c1ccccc1
InChIInChI=1S/C11H18N2/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12-13H2
InChIKeyASLIRPJDOQNQLI-UHFFFAOYSA-N
XLogP1.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-phenylpentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylbutane-1,4-diamine
CID 16770348
2-phenylundecan-1-amine
CID 57256894
6-amino-3-phenylhexanenitrile
CID 82404876
2-phenylpentan-1-amine
CID 14321247
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
2-phenyldec-9-en-1-amine
CID 107010668
2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628129
5-(furan-2-yl)-4-phenylpentan-1-amine
CID 140971933
5-ethyl-2-phenylheptan-1-amine
CID 82935011
4-(2,6-difluorophenyl)-2-phenylbutan-1-amine
CID 114935148
2-(4-phenylphenyl)hexan-1-amine
CID 121467477

Frequently Asked Questions

What is the IUPAC name of 2-phenylpentane-1,5-diamine?
The IUPAC name of 2-phenylpentane-1,5-diamine (CID 22770284) is 2-phenylpentane-1,5-diamine.
What is the SMILES notation for 2-phenylpentane-1,5-diamine?
The canonical SMILES for 2-phenylpentane-1,5-diamine is NCCCC(CN)c1ccccc1.
What is the InChIKey of 2-phenylpentane-1,5-diamine?
The InChIKey is ASLIRPJDOQNQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,12-13H2.
What are the key properties of 2-phenylpentane-1,5-diamine?
2-phenylpentane-1,5-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpentane-1,5-diamine is sourced from PubChem (CID 22770284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).