3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide

C13H24N2O — CID 50964173

IUPAC3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(N)=O)CC1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-11(2)15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-4,11-12H,5-10H2,1-2H3,(H2,14,16)
InChIKeyNEAWHWDWIYWHMS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.93
Rot. Bonds6

About 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide

3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide (PubChem CID 50964173) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide
PubChem CID50964173
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(N)=O)CC1CC=CCC1
InChIInChI=1S/C13H24N2O/c1-11(2)15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-4,11-12H,5-10H2,1-2H3,(H2,14,16)
InChIKeyNEAWHWDWIYWHMS-UHFFFAOYSA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide 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 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide?
The IUPAC name of 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide (CID 50964173) is 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide?
The canonical SMILES for 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide is CC(C)N(CCC(N)=O)CC1CC=CCC1.
What is the InChIKey of 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide?
The InChIKey is NEAWHWDWIYWHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)15(9-8-13(14)16)10-12-6-4-3-5-7-12/h3-4,11-12H,5-10H2,1-2H3,(H2,14,16).
What are the key properties of 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide?
3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohex-3-en-1-ylmethyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 50964173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).