1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine

C20H32N2 — CID 91151578

IUPAC1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine
SMILESCCc1ccc(NC2CCCCC2)cc1NC1CCCCC1
InChIInChI=1S/C20H32N2/c1-2-16-13-14-19(21-17-9-5-3-6-10-17)15-20(16)22-18-11-7-4-8-12-18/h13-15,17-18,21-22H,2-12H2,1H3
InChIKeyDYAAZOPEXBDAJY-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.74
Rot. Bonds5

About 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine

1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine (PubChem CID 91151578) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine
PubChem CID91151578
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine
SMILESCCc1ccc(NC2CCCCC2)cc1NC1CCCCC1
InChIInChI=1S/C20H32N2/c1-2-16-13-14-19(21-17-9-5-3-6-10-17)15-20(16)22-18-11-7-4-8-12-18/h13-15,17-18,21-22H,2-12H2,1H3
InChIKeyDYAAZOPEXBDAJY-UHFFFAOYSA-N
XLogP5.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,3-N-dicyclohexyl-4-ethylbenzene-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

Related Compounds

1-N,3-N-dicyclohexyl-4-propylbenzene-1,3-diamine
CID 90852718
N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342641
1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
CID 70292757
cyclopentanone;N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342640
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
N-cyclohexyl-3-ethylaniline
CID 11009024
4-bromo-N-cyclopentyl-2-ethylaniline
CID 81292169
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-[4-(cycloheptylamino)phenyl]ethanesulfonamide
CID 60932393
1-N,3-N-dicyclopentyl-4-(2-methylprop-1-enyl)benzene-1,3-diamine
CID 91285397
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
N-(3-chloro-4-ethylphenyl)oxan-4-amine
CID 118362486

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine (CID 91151578) is 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine is CCc1ccc(NC2CCCCC2)cc1NC1CCCCC1.
What is the InChIKey of 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine?
The InChIKey is DYAAZOPEXBDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-16-13-14-19(21-17-9-5-3-6-10-17)15-20(16)22-18-11-7-4-8-12-18/h13-15,17-18,21-22H,2-12H2,1H3.
What are the key properties of 1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine?
1-N,3-N-dicyclohexyl-4-ethylbenzene-1,3-diamine has a molecular weight of 300.49 g/mol, XLogP of 5.74, 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-dicyclohexyl-4-ethylbenzene-1,3-diamine is sourced from PubChem (CID 91151578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).