4-N-phenylpentane-2,4-diamine

C11H18N2 — CID 156531414

IUPAC4-N-phenylpentane-2,4-diamine
SMILESCC(N)CC(C)Nc1ccccc1
InChIInChI=1S/C11H18N2/c1-9(12)8-10(2)13-11-6-4-3-5-7-11/h3-7,9-10,13H,8,12H2,1-2H3
InChIKeyBVYGCOLNKLVJQR-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.22
Rot. Bonds4

About 4-N-phenylpentane-2,4-diamine

4-N-phenylpentane-2,4-diamine (PubChem CID 156531414) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-N-phenylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-phenylpentane-2,4-diamine
PubChem CID156531414
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-N-phenylpentane-2,4-diamine
SMILESCC(N)CC(C)Nc1ccccc1
InChIInChI=1S/C11H18N2/c1-9(12)8-10(2)13-11-6-4-3-5-7-11/h3-7,9-10,13H,8,12H2,1-2H3
InChIKeyBVYGCOLNKLVJQR-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-phenylpentane-2,4-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

4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
1-N,1-diphenylbutane-1,3-diamine
CID 542026
N',N"-diphenylmethanetriamine
CID 89357309
N-(5-phenylpentan-2-yl)aniline
CID 134967933
2-N,2-N,2-trimethyl-4-N-phenylpentane-2,4-diamine
CID 13185865
N-(1-trimethoxysilylpropan-2-yl)aniline
CID 22495234
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
3-amino-3-anilinopropan-1-ol
CID 174697333
2-[2-anilinopropyl(methyl)amino]ethanol
CID 10954782
silane;N-(1-trimethoxysilylpropan-2-yl)aniline
CID 173063334
2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
CID 95479757
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448

Frequently Asked Questions

What is the IUPAC name of 4-N-phenylpentane-2,4-diamine?
The IUPAC name of 4-N-phenylpentane-2,4-diamine (CID 156531414) is 4-N-phenylpentane-2,4-diamine.
What is the SMILES notation for 4-N-phenylpentane-2,4-diamine?
The canonical SMILES for 4-N-phenylpentane-2,4-diamine is CC(N)CC(C)Nc1ccccc1.
What is the InChIKey of 4-N-phenylpentane-2,4-diamine?
The InChIKey is BVYGCOLNKLVJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(12)8-10(2)13-11-6-4-3-5-7-11/h3-7,9-10,13H,8,12H2,1-2H3.
What are the key properties of 4-N-phenylpentane-2,4-diamine?
4-N-phenylpentane-2,4-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenylpentane-2,4-diamine is sourced from PubChem (CID 156531414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).