4-[2-[cyclopentyl(methyl)amino]ethyl]aniline

C14H22N2 — CID 43267271

IUPAC4-[2-[cyclopentyl(methyl)amino]ethyl]aniline
SMILESCN(CCc1ccc(N)cc1)C1CCCC1
InChIInChI=1S/C14H22N2/c1-16(14-4-2-3-5-14)11-10-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11,15H2,1H3
InChIKeyISRCVAXTIHZBEH-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.69
Rot. Bonds4

About 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline

4-[2-[cyclopentyl(methyl)amino]ethyl]aniline (PubChem CID 43267271) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[cyclopentyl(methyl)amino]ethyl]aniline
PubChem CID43267271
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[2-[cyclopentyl(methyl)amino]ethyl]aniline
SMILESCN(CCc1ccc(N)cc1)C1CCCC1
InChIInChI=1S/C14H22N2/c1-16(14-4-2-3-5-14)11-10-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11,15H2,1H3
InChIKeyISRCVAXTIHZBEH-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline 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

6-[2-[cyclopentyl(methyl)amino]ethyl]pyridin-3-amine
CID 107340030
4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
CID 115341723
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
N-methyl-N-(2-phenylethyl)azepan-4-amine
CID 65486182
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
N-[2-(4-chlorophenyl)ethyl]-N-methyloxan-4-amine
CID 56860101
4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one
CID 117039757
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline?
The IUPAC name of 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline (CID 43267271) is 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline?
The canonical SMILES for 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline is CN(CCc1ccc(N)cc1)C1CCCC1.
What is the InChIKey of 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline?
The InChIKey is ISRCVAXTIHZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(14-4-2-3-5-14)11-10-12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11,15H2,1H3.
What are the key properties of 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline?
4-[2-[cyclopentyl(methyl)amino]ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(methyl)amino]ethyl]aniline is sourced from PubChem (CID 43267271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).