3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide

C11H22N2O — CID 138656266

IUPAC3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(CCC(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)6-5-9-7-13(8-9)10(14)12-4/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyOXTADPZRFCMSBT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.08
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide

3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide (PubChem CID 138656266) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide
PubChem CID138656266
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(CCC(C)(C)C)C1
InChIInChI=1S/C11H22N2O/c1-11(2,3)6-5-9-7-13(8-9)10(14)12-4/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyOXTADPZRFCMSBT-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide?
The IUPAC name of 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide (CID 138656266) is 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide is CNC(=O)N1CC(CCC(C)(C)C)C1.
What is the InChIKey of 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide?
The InChIKey is OXTADPZRFCMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)6-5-9-7-13(8-9)10(14)12-4/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide?
3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 138656266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).