1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine

C24H40N2 — CID 90714937

IUPAC1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine
SMILESCC(C)Cc1cc(CC(C)C)c(NC2CCCC2)cc1NC1CCCC1
InChIInChI=1S/C24H40N2/c1-17(2)13-19-15-20(14-18(3)4)24(26-22-11-7-8-12-22)16-23(19)25-21-9-5-6-10-21/h15-18,21-22,25-26H,5-14H2,1-4H3
InChIKeyMOTOTSOPZAXVEC-UHFFFAOYSA-N
MW356.60 g/mol
LogP6.79
Rot. Bonds8

About 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine

1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine (PubChem CID 90714937) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine
PubChem CID90714937
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine
SMILESCC(C)Cc1cc(CC(C)C)c(NC2CCCC2)cc1NC1CCCC1
InChIInChI=1S/C24H40N2/c1-17(2)13-19-15-20(14-18(3)4)24(26-22-11-7-8-12-22)16-23(19)25-21-9-5-6-10-21/h15-18,21-22,25-26H,5-14H2,1-4H3
InChIKeyMOTOTSOPZAXVEC-UHFFFAOYSA-N
XLogP6.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine (CID 90714937) is 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine is CC(C)Cc1cc(CC(C)C)c(NC2CCCC2)cc1NC1CCCC1.
What is the InChIKey of 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine?
The InChIKey is MOTOTSOPZAXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2/c1-17(2)13-19-15-20(14-18(3)4)24(26-22-11-7-8-12-22)16-23(19)25-21-9-5-6-10-21/h15-18,21-22,25-26H,5-14H2,1-4H3.
What are the key properties of 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine?
1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine has a molecular weight of 356.60 g/mol, XLogP of 6.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dicyclopentyl-4,6-bis(2-methylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 90714937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).