3-tert-butyl-N-methylazetidine-1-carboxamide

C9H18N2O — CID 164830177

IUPAC3-tert-butyl-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C9H18N2O/c1-9(2,3)7-5-11(6-7)8(12)10-4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyKUWYKVIJGHWYBI-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.30
Rot. Bonds

About 3-tert-butyl-N-methylazetidine-1-carboxamide

3-tert-butyl-N-methylazetidine-1-carboxamide (PubChem CID 164830177) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-tert-butyl-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-methylazetidine-1-carboxamide
PubChem CID164830177
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-tert-butyl-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC(C(C)(C)C)C1
InChIInChI=1S/C9H18N2O/c1-9(2,3)7-5-11(6-7)8(12)10-4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyKUWYKVIJGHWYBI-UHFFFAOYSA-N
XLogP1.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-methylazepane-1-carboxamide
CID 115631035
(1S,5R)-3-tert-butyl-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 164785292
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
3-tert-butyl-5-(methylamino)piperidine-1-carboxylic acid
CID 118024741
N-methyl-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 130479696
4-tert-butyl-N-methylpiperazine-1-carboxamide
CID 59788280
(3-tert-butylazetidin-1-yl)-(3,3-dimethylcyclobutyl)methanone
CID 121450223
3-(3-tert-butylazetidin-1-yl)-3-oxopropanenitrile
CID 58394899
(1S,5R)-6-(methoxymethyl)-N-methyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 130621753
N-methyl-3-(2-methylpentan-3-yl)azetidine-1-carboxamide
CID 138656055
1-(3-tert-butylazetidin-1-yl)-2-(diethylamino)propan-1-one
CID 170793149
(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 164785278

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-methylazetidine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-methylazetidine-1-carboxamide (CID 164830177) is 3-tert-butyl-N-methylazetidine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-methylazetidine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-methylazetidine-1-carboxamide is CNC(=O)N1CC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-N-methylazetidine-1-carboxamide?
The InChIKey is KUWYKVIJGHWYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)7-5-11(6-7)8(12)10-4/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 3-tert-butyl-N-methylazetidine-1-carboxamide?
3-tert-butyl-N-methylazetidine-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 164830177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).