2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide

C12H22N2O — CID 43400096

IUPAC2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC1CC=CCC1
InChIInChI=1S/C12H22N2O/c1-3-13-12(15)10(2)14-9-11-7-5-4-6-8-11/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,13,15)
InChIKeyMNUKZVDPDLPPIW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds5

About 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide

2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide (PubChem CID 43400096) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide
PubChem CID43400096
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCC1CC=CCC1
InChIInChI=1S/C12H22N2O/c1-3-13-12(15)10(2)14-9-11-7-5-4-6-8-11/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,13,15)
InChIKeyMNUKZVDPDLPPIW-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide 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-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide (CID 43400096) is 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide is CCNC(=O)C(C)NCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide?
The InChIKey is MNUKZVDPDLPPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-13-12(15)10(2)14-9-11-7-5-4-6-8-11/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,13,15).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide?
2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)-N-ethylpropanamide is sourced from PubChem (CID 43400096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).