3-(3-methylbutyl)azetidine-1-carboxamide

C9H18N2O — CID 138656267

IUPAC3-(3-methylbutyl)azetidine-1-carboxamide
SMILESCC(C)CCC1CN(C(N)=O)C1
InChIInChI=1S/C9H18N2O/c1-7(2)3-4-8-5-11(6-8)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyPOPQWFUMUBDDEE-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.43
Rot. Bonds3

About 3-(3-methylbutyl)azetidine-1-carboxamide

3-(3-methylbutyl)azetidine-1-carboxamide (PubChem CID 138656267) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(3-methylbutyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methylbutyl)azetidine-1-carboxamide
PubChem CID138656267
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(3-methylbutyl)azetidine-1-carboxamide
SMILESCC(C)CCC1CN(C(N)=O)C1
InChIInChI=1S/C9H18N2O/c1-7(2)3-4-8-5-11(6-8)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12)
InChIKeyPOPQWFUMUBDDEE-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-methylbutyl)azetidine-1-carboxamide 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-(3-methylbutyl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-methylbutyl)azetidine-1-carboxamide (CID 138656267) is 3-(3-methylbutyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-methylbutyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-methylbutyl)azetidine-1-carboxamide is CC(C)CCC1CN(C(N)=O)C1.
What is the InChIKey of 3-(3-methylbutyl)azetidine-1-carboxamide?
The InChIKey is POPQWFUMUBDDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)3-4-8-5-11(6-8)9(10)12/h7-8H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 3-(3-methylbutyl)azetidine-1-carboxamide?
3-(3-methylbutyl)azetidine-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)azetidine-1-carboxamide is sourced from PubChem (CID 138656267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).