3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine

C32H38N2 — CID 173297892

IUPAC3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine
SMILESCCCCC(CCC(N)c1ccccc1)C(c1ccc2ccccc2c1)C(N)c1ccccc1
InChIInChI=1S/C32H38N2/c1-2-3-12-26(21-22-30(33)25-14-6-4-7-15-25)31(32(34)27-16-8-5-9-17-27)29-20-19-24-13-10-11-18-28(24)23-29/h4-11,13-20,23,26,30-32H,2-3,12,21-22,33-34H2,1H3
InChIKeyIQGYQDJERGRQMO-UHFFFAOYSA-N
MW450.67 g/mol
LogP7.91
Rot. Bonds11

About 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine

3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine (PubChem CID 173297892) has the molecular formula C32H38N2 and a molecular weight of 450.67 g/mol. Its IUPAC name is 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine.

Molecular Properties

Compound Name3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine
PubChem CID173297892
Molecular FormulaC32H38N2
Molecular Weight450.67 g/mol
Exact Mass450.30
IUPAC Name3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine
SMILESCCCCC(CCC(N)c1ccccc1)C(c1ccc2ccccc2c1)C(N)c1ccccc1
InChIInChI=1S/C32H38N2/c1-2-3-12-26(21-22-30(33)25-14-6-4-7-15-25)31(32(34)27-16-8-5-9-17-27)29-20-19-24-13-10-11-18-28(24)23-29/h4-11,13-20,23,26,30-32H,2-3,12,21-22,33-34H2,1H3
InChIKeyIQGYQDJERGRQMO-UHFFFAOYSA-N
XLogP7.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-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

(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
4-butoxy-1-phenylbutan-1-amine
CID 61483795
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine?
The IUPAC name of 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine (CID 173297892) is 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine.
What is the SMILES notation for 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine?
The canonical SMILES for 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine is CCCCC(CCC(N)c1ccccc1)C(c1ccc2ccccc2c1)C(N)c1ccccc1.
What is the InChIKey of 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine?
The InChIKey is IQGYQDJERGRQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2/c1-2-3-12-26(21-22-30(33)25-14-6-4-7-15-25)31(32(34)27-16-8-5-9-17-27)29-20-19-24-13-10-11-18-28(24)23-29/h4-11,13-20,23,26,30-32H,2-3,12,21-22,33-34H2,1H3.
What are the key properties of 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine?
3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine has a molecular weight of 450.67 g/mol, XLogP of 7.91, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-naphthalen-2-yl-1,6-diphenylhexane-1,6-diamine is sourced from PubChem (CID 173297892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).