2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine

C20H32N2 — CID 87526136

IUPAC2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine
SMILESCCc1c(C2CCCCC2)cc(N)c(C2CCCCC2)c1N
InChIInChI=1S/C20H32N2/c1-2-16-17(14-9-5-3-6-10-14)13-18(21)19(20(16)22)15-11-7-4-8-12-15/h13-15H,2-12,21-22H2,1H3
InChIKeyFSAACYGIEAFSBR-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.51
Rot. Bonds3

About 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine

2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine (PubChem CID 87526136) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine
PubChem CID87526136
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine
SMILESCCc1c(C2CCCCC2)cc(N)c(C2CCCCC2)c1N
InChIInChI=1S/C20H32N2/c1-2-16-17(14-9-5-3-6-10-14)13-18(21)19(20(16)22)15-11-7-4-8-12-15/h13-15H,2-12,21-22H2,1H3
InChIKeyFSAACYGIEAFSBR-UHFFFAOYSA-N
XLogP5.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,5-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

Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine?
The IUPAC name of 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine (CID 87526136) is 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine.
What is the SMILES notation for 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine?
The canonical SMILES for 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine is CCc1c(C2CCCCC2)cc(N)c(C2CCCCC2)c1N.
What is the InChIKey of 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine?
The InChIKey is FSAACYGIEAFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-16-17(14-9-5-3-6-10-14)13-18(21)19(20(16)22)15-11-7-4-8-12-15/h13-15H,2-12,21-22H2,1H3.
What are the key properties of 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine?
2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine has a molecular weight of 300.49 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclohexyl-4-ethylbenzene-1,3-diamine is sourced from PubChem (CID 87526136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).