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

C24H38N2 — CID 91171618

IUPAC1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine
SMILESCC(C)=Cc1cc(CC(C)C)c(NC2CCCC2)cc1NC1CCCC1
InChIInChI=1S/C24H38N2/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/h13,15-16,18,21-22,25-26H,5-12,14H2,1-4H3
InChIKeyYZFVYSYSSKSGOK-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.02
Rot. Bonds7

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

1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine (PubChem CID 91171618) has the molecular formula C24H38N2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine
PubChem CID91171618
Molecular FormulaC24H38N2
Molecular Weight354.58 g/mol
Exact Mass354.30
IUPAC Name1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine
SMILESCC(C)=Cc1cc(CC(C)C)c(NC2CCCC2)cc1NC1CCCC1
InChIInChI=1S/C24H38N2/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/h13,15-16,18,21-22,25-26H,5-12,14H2,1-4H3
InChIKeyYZFVYSYSSKSGOK-UHFFFAOYSA-N
XLogP7.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine (CID 91171618) is 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(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-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine?
The InChIKey is YZFVYSYSSKSGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2/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/h13,15-16,18,21-22,25-26H,5-12,14H2,1-4H3.
What are the key properties of 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine?
1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine has a molecular weight of 354.58 g/mol, XLogP of 7.02, 7 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-(2-methylprop-1-enyl)-6-(2-methylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 91171618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).