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

C20H30N2 — CID 91285397

IUPAC1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine
SMILESCC(C)=Cc1ccc(NC2CCCC2)cc1NC1CCCC1
InChIInChI=1S/C20H30N2/c1-15(2)13-16-11-12-19(21-17-7-3-4-8-17)14-20(16)22-18-9-5-6-10-18/h11-14,17-18,21-22H,3-10H2,1-2H3
InChIKeyDDCSCTRAPCTJPV-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.82
Rot. Bonds5

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

1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine (PubChem CID 91285397) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine
PubChem CID91285397
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine
SMILESCC(C)=Cc1ccc(NC2CCCC2)cc1NC1CCCC1
InChIInChI=1S/C20H30N2/c1-15(2)13-16-11-12-19(21-17-7-3-4-8-17)14-20(16)22-18-9-5-6-10-18/h11-14,17-18,21-22H,3-10H2,1-2H3
InChIKeyDDCSCTRAPCTJPV-UHFFFAOYSA-N
XLogP5.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.82
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)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine (CID 91285397) is 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine is CC(C)=Cc1ccc(NC2CCCC2)cc1NC1CCCC1.
What is the InChIKey of 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine?
The InChIKey is DDCSCTRAPCTJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-15(2)13-16-11-12-19(21-17-7-3-4-8-17)14-20(16)22-18-9-5-6-10-18/h11-14,17-18,21-22H,3-10H2,1-2H3.
What are the key properties of 1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine?
1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine has a molecular weight of 298.47 g/mol, XLogP of 5.82, 5 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)benzene-1,3-diamine is sourced from PubChem (CID 91285397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).