3-methylbut-2-enyl N-butyl-N-propylcarbamate

C13H25NO2 — CID 89281491

IUPAC3-methylbut-2-enyl N-butyl-N-propylcarbamate
SMILESCCCCN(CCC)C(=O)OCC=C(C)C
InChIInChI=1S/C13H25NO2/c1-5-7-10-14(9-6-2)13(15)16-11-8-12(3)4/h8H,5-7,9-11H2,1-4H3
InChIKeyCUCBWUKDNQCHCG-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.60
Rot. Bonds7

About 3-methylbut-2-enyl N-butyl-N-propylcarbamate

3-methylbut-2-enyl N-butyl-N-propylcarbamate (PubChem CID 89281491) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methylbut-2-enyl N-butyl-N-propylcarbamate.

Molecular Properties

Compound Name3-methylbut-2-enyl N-butyl-N-propylcarbamate
PubChem CID89281491
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-methylbut-2-enyl N-butyl-N-propylcarbamate
SMILESCCCCN(CCC)C(=O)OCC=C(C)C
InChIInChI=1S/C13H25NO2/c1-5-7-10-14(9-6-2)13(15)16-11-8-12(3)4/h8H,5-7,9-11H2,1-4H3
InChIKeyCUCBWUKDNQCHCG-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methylbut-2-enyl N-butyl-N-propylcarbamate 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-methylbut-2-enyl N-butyl-N-propylcarbamate?
The IUPAC name of 3-methylbut-2-enyl N-butyl-N-propylcarbamate (CID 89281491) is 3-methylbut-2-enyl N-butyl-N-propylcarbamate.
What is the SMILES notation for 3-methylbut-2-enyl N-butyl-N-propylcarbamate?
The canonical SMILES for 3-methylbut-2-enyl N-butyl-N-propylcarbamate is CCCCN(CCC)C(=O)OCC=C(C)C.
What is the InChIKey of 3-methylbut-2-enyl N-butyl-N-propylcarbamate?
The InChIKey is CUCBWUKDNQCHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-7-10-14(9-6-2)13(15)16-11-8-12(3)4/h8H,5-7,9-11H2,1-4H3.
What are the key properties of 3-methylbut-2-enyl N-butyl-N-propylcarbamate?
3-methylbut-2-enyl N-butyl-N-propylcarbamate has a molecular weight of 227.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enyl N-butyl-N-propylcarbamate is sourced from PubChem (CID 89281491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).