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

C12H23NO — CID 79643748

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one
SMILESCC(N(C)C1CCC(=O)C1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(12(2,3)4)13(5)10-6-7-11(14)8-10/h9-10H,6-8H2,1-5H3
InChIKeyYJHIIVJWJAKKCE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.47
Rot. Bonds2

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

3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one (PubChem CID 79643748) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one
PubChem CID79643748
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one
SMILESCC(N(C)C1CCC(=O)C1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(12(2,3)4)13(5)10-6-7-11(14)8-10/h9-10H,6-8H2,1-5H3
InChIKeyYJHIIVJWJAKKCE-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bis(2-methylpropyl)amino]cyclopentan-1-one
CID 79643153
3-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
CID 79617844
3-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentan-1-one
CID 103189904
4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
CID 114762043
(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
CID 58072083
3-[ethyl(propyl)amino]cyclopentan-1-one
CID 79642682
3-(dibutylamino)cyclopentan-1-one
CID 79644207
3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclohexan-1-ol
CID 79619422
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
4-[but-3-en-2-yl(methyl)amino]cyclohexan-1-one
CID 79120022
3-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 79642440
3-[2-methylpropyl(pentan-3-yl)amino]cyclopentan-1-one
CID 79643649

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one (CID 79643748) is 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one is CC(N(C)C1CCC(=O)C1)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one?
The InChIKey is YJHIIVJWJAKKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(12(2,3)4)13(5)10-6-7-11(14)8-10/h9-10H,6-8H2,1-5H3.
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one?
3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)amino]cyclopentan-1-one is sourced from PubChem (CID 79643748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).