1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one

C12H23NO — CID 62862391

IUPAC1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCN(CC(=O)C(C)(C)C)CC1CCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)11(14)9-13(4)8-10-6-5-7-10/h10H,5-9H2,1-4H3
InChIKeyBPXFFXHTSOMPJW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds4

About 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one

1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 62862391) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one
PubChem CID62862391
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one
SMILESCN(CC(=O)C(C)(C)C)CC1CCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)11(14)9-13(4)8-10-6-5-7-10/h10H,5-9H2,1-4H3
InChIKeyBPXFFXHTSOMPJW-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
2-[cyclobutylmethyl(methyl)amino]-1-(oxolan-3-yl)ethanone
CID 104750663
1-[ethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 43794888
2-[cyclohexylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750162
2-[cyclohexylmethyl(methyl)amino]-N-cyclopentyl-N-cyclopropylacetamide
CID 112841265
1-[cyclohexylmethyl(methyl)amino]-3-methylbutan-2-one
CID 79395083
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
CID 62861052
2-[cyclopentylmethyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86869723
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595
N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070368

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one (CID 62862391) is 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one is CN(CC(=O)C(C)(C)C)CC1CCC1.
What is the InChIKey of 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is BPXFFXHTSOMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)11(14)9-13(4)8-10-6-5-7-10/h10H,5-9H2,1-4H3.
What are the key properties of 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one?
1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 62862391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).