3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine

C31H34N2 — CID 140983955

IUPAC3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine
SMILESNC(N)(Cc1ccccc1)C(CCc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H34N2/c32-31(33,25-29-19-11-4-12-20-29)30(23-27-15-7-2-8-16-27,24-28-17-9-3-10-18-28)22-21-26-13-5-1-6-14-26/h1-20H,21-25,32-33H2
InChIKeyJXRXBLMCHDNEAI-UHFFFAOYSA-N
MW434.63 g/mol
LogP5.95
Rot. Bonds10

About 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine

3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine (PubChem CID 140983955) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine.

Molecular Properties

Compound Name3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine
PubChem CID140983955
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC Name3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine
SMILESNC(N)(Cc1ccccc1)C(CCc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H34N2/c32-31(33,25-29-19-11-4-12-20-29)30(23-27-15-7-2-8-16-27,24-28-17-9-3-10-18-28)22-21-26-13-5-1-6-14-26/h1-20H,21-25,32-33H2
InChIKeyJXRXBLMCHDNEAI-UHFFFAOYSA-N
XLogP5.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-dibenzyl-1,5-diphenylpentane-2,2-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-amino-1,4-diphenylbutan-2-ol
CID 67531215
1,1-diamino-3-phenylpropane-1-thiol
CID 139890892
(2-benzyl-1,4-diphenylbutan-2-yl)benzene
CID 21493579
3-methyl-1-phenylheptan-3-amine
CID 121493813
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
benzene;2-phenylethylbenzene
CID 18982764
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905
3-methyl-1-phenylhex-4-en-3-amine
CID 174938093
(6-chloro-3,3,4,4,5,5,6,6-octafluorohexyl)benzene
CID 15485608

Frequently Asked Questions

What is the IUPAC name of 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine?
The IUPAC name of 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine (CID 140983955) is 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine.
What is the SMILES notation for 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine?
The canonical SMILES for 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine is NC(N)(Cc1ccccc1)C(CCc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine?
The InChIKey is JXRXBLMCHDNEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c32-31(33,25-29-19-11-4-12-20-29)30(23-27-15-7-2-8-16-27,24-28-17-9-3-10-18-28)22-21-26-13-5-1-6-14-26/h1-20H,21-25,32-33H2.
What are the key properties of 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine?
3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine has a molecular weight of 434.63 g/mol, XLogP of 5.95, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibenzyl-1,5-diphenylpentane-2,2-diamine is sourced from PubChem (CID 140983955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).