1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine

C14H22N2O — CID 113392522

IUPAC1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine
SMILESCCN(c1cccc(OC)c1N)C1CCCC1
InChIInChI=1S/C14H22N2O/c1-3-16(11-7-4-5-8-11)12-9-6-10-13(17-2)14(12)15/h6,9-11H,3-5,7-8,15H2,1-2H3
InChIKeyILKLUSWUYGZRHR-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.05
Rot. Bonds4

About 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine

1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine (PubChem CID 113392522) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine
PubChem CID113392522
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine
SMILESCCN(c1cccc(OC)c1N)C1CCCC1
InChIInChI=1S/C14H22N2O/c1-3-16(11-7-4-5-8-11)12-9-6-10-13(17-2)14(12)15/h6,9-11H,3-5,7-8,15H2,1-2H3
InChIKeyILKLUSWUYGZRHR-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-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-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine (CID 113392522) is 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine is CCN(c1cccc(OC)c1N)C1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine?
The InChIKey is ILKLUSWUYGZRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(11-7-4-5-8-11)12-9-6-10-13(17-2)14(12)15/h6,9-11H,3-5,7-8,15H2,1-2H3.
What are the key properties of 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine?
1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine is sourced from PubChem (CID 113392522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).