1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one

C13H25NO — CID 62622965

IUPAC1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one
SMILESCN(CCC(=O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12(15)9-10-14(4)11-7-5-6-8-11/h11H,5-10H2,1-4H3
InChIKeyBYGWXFXGXXZFGE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds4

About 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one

1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one (PubChem CID 62622965) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one
PubChem CID62622965
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one
SMILESCN(CCC(=O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C13H25NO/c1-13(2,3)12(15)9-10-14(4)11-7-5-6-8-11/h11H,5-10H2,1-4H3
InChIKeyBYGWXFXGXXZFGE-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
3-(tert-butylamino)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315852
3-[(1-tert-butylpiperidin-3-yl)-methylamino]propanoic acid
CID 117005069
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
CID 55482831
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
4-[cycloheptyl(methyl)amino]butanehydrazide
CID 63571638
4-[cyclohexyl(methyl)amino]butanehydrazide
CID 63568701
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one (CID 62622965) is 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one is CN(CCC(=O)C(C)(C)C)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one?
The InChIKey is BYGWXFXGXXZFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)12(15)9-10-14(4)11-7-5-6-8-11/h11H,5-10H2,1-4H3.
What are the key properties of 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one?
1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(methyl)amino]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 62622965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).