1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine

C15H24N2 — CID 64920923

IUPAC1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine
SMILESCCC1CCC(Nc2ccc(N)cc2C)C1C
InChIInChI=1S/C15H24N2/c1-4-12-5-7-15(11(12)3)17-14-8-6-13(16)9-10(14)2/h6,8-9,11-12,15,17H,4-5,7,16H2,1-3H3
InChIKeyQCVXLPGNORUNSA-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.81
Rot. Bonds3

About 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine

1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine (PubChem CID 64920923) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine
PubChem CID64920923
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine
SMILESCCC1CCC(Nc2ccc(N)cc2C)C1C
InChIInChI=1S/C15H24N2/c1-4-12-5-7-15(11(12)3)17-14-8-6-13(16)9-10(14)2/h6,8-9,11-12,15,17H,4-5,7,16H2,1-3H3
InChIKeyQCVXLPGNORUNSA-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-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-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine (CID 64920923) is 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine is CCC1CCC(Nc2ccc(N)cc2C)C1C.
What is the InChIKey of 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine?
The InChIKey is QCVXLPGNORUNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-12-5-7-15(11(12)3)17-14-8-6-13(16)9-10(14)2/h6,8-9,11-12,15,17H,4-5,7,16H2,1-3H3.
What are the key properties of 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine?
1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 64920923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).