N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide

C11H22N2O2 — CID 62956381

IUPACN-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1CCCC1CN
InChIInChI=1S/C11H22N2O2/c1-2-15-7-6-11(14)13-10-5-3-4-9(10)8-12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyDAJQTMLPSWXJSN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.66
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide

N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide (PubChem CID 62956381) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide
PubChem CID62956381
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1CCCC1CN
InChIInChI=1S/C11H22N2O2/c1-2-15-7-6-11(14)13-10-5-3-4-9(10)8-12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyDAJQTMLPSWXJSN-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide 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 N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide (CID 62956381) is N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide is CCOCCC(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide?
The InChIKey is DAJQTMLPSWXJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-7-6-11(14)13-10-5-3-4-9(10)8-12/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide?
N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-ethoxypropanamide is sourced from PubChem (CID 62956381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).