N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide

C9H18N2O — CID 126996805

IUPACN-methyl-1-(2-methylpropyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(CC(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)4-11-5-8(6-11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyPKSYPQXQFYHSDI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.32
Rot. Bonds3

About N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide

N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide (PubChem CID 126996805) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)azetidine-3-carboxamide
PubChem CID126996805
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-1-(2-methylpropyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(CC(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)4-11-5-8(6-11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyPKSYPQXQFYHSDI-UHFFFAOYSA-N
XLogP0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894
N-methyl-1-(2-methylpropyl)-N-(propan-2-yloxymethyl)azetidine-3-carboxamide
CID 155034671
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
N-methyl-1-[[3-methyl-4-(3-methylbutoxy)phenyl]methyl]azetidine-3-carboxamide
CID 176931156
1-(cyanomethyl)-N-methylpyrrolidine-3-carboxamide
CID 131219478
3-cyclopropyl-1-(2-methylpropyl)azetidine
CID 126994705

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide (CID 126996805) is N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide is CNC(=O)C1CN(CC(C)C)C1.
What is the InChIKey of N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide?
The InChIKey is PKSYPQXQFYHSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)4-11-5-8(6-11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide?
N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide is sourced from PubChem (CID 126996805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).