3-(2,2-dimethylpropyl)azetidine-1-carboxamide

C9H18N2O — CID 138656275

IUPAC3-(2,2-dimethylpropyl)azetidine-1-carboxamide
SMILESCC(C)(C)CC1CN(C(N)=O)C1
InChIInChI=1S/C9H18N2O/c1-9(2,3)4-7-5-11(6-7)8(10)12/h7H,4-6H2,1-3H3,(H2,10,12)
InChIKeyBIJDRLXJIYAGGX-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.43
Rot. Bonds1

About 3-(2,2-dimethylpropyl)azetidine-1-carboxamide

3-(2,2-dimethylpropyl)azetidine-1-carboxamide (PubChem CID 138656275) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)azetidine-1-carboxamide
PubChem CID138656275
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(2,2-dimethylpropyl)azetidine-1-carboxamide
SMILESCC(C)(C)CC1CN(C(N)=O)C1
InChIInChI=1S/C9H18N2O/c1-9(2,3)4-7-5-11(6-7)8(10)12/h7H,4-6H2,1-3H3,(H2,10,12)
InChIKeyBIJDRLXJIYAGGX-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

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Related Compounds

3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 83997104
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
(3R)-3-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 164775319
azetidin-1-yl-[3-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
CID 164775434
3,4-dihydroxypyrrolidine-1-carboxamide
CID 21474962
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
1-carbamoyl-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995032
(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide
CID 95049046
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
3-propylpiperidine-1-carboxamide
CID 18466872
3-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 89453120

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropyl)azetidine-1-carboxamide (CID 138656275) is 3-(2,2-dimethylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)azetidine-1-carboxamide is CC(C)(C)CC1CN(C(N)=O)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)azetidine-1-carboxamide?
The InChIKey is BIJDRLXJIYAGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)4-7-5-11(6-7)8(10)12/h7H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 3-(2,2-dimethylpropyl)azetidine-1-carboxamide?
3-(2,2-dimethylpropyl)azetidine-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 138656275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).