N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide

C11H22N2O — CID 138656055

IUPACN-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide
SMILESCCC(C(C)C)C1CN(C(=O)NC)C1
InChIInChI=1S/C11H22N2O/c1-5-10(8(2)3)9-6-13(7-9)11(14)12-4/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyVTFLIGQWJOKLIL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.94
Rot. Bonds3

About N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide

N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide (PubChem CID 138656055) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide
PubChem CID138656055
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide
SMILESCCC(C(C)C)C1CN(C(=O)NC)C1
InChIInChI=1S/C11H22N2O/c1-5-10(8(2)3)9-6-13(7-9)11(14)12-4/h8-10H,5-7H2,1-4H3,(H,12,14)
InChIKeyVTFLIGQWJOKLIL-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
3-tert-butyl-N-methylazetidine-1-carboxamide
CID 164830177
4-(difluoromethyl)-N-methylpiperidine-1-carboxamide
CID 130751806
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130621753
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
N-methyl-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 130479696
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
CID 157028583
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683202
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide?
The IUPAC name of N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide (CID 138656055) is N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide?
The canonical SMILES for N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide is CCC(C(C)C)C1CN(C(=O)NC)C1.
What is the InChIKey of N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide?
The InChIKey is VTFLIGQWJOKLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-10(8(2)3)9-6-13(7-9)11(14)12-4/h8-10H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide?
N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 138656055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).