1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one

C12H23NO — CID 89084410

IUPAC1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one
SMILESCCC(=O)[C@H]1CCC[C@@H]1NC(C)(C)C
InChIInChI=1S/C12H23NO/c1-5-11(14)9-7-6-8-10(9)13-12(2,3)4/h9-10,13H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyBRRRMZVVGAJQRP-UWVGGRQHSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds3

About 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one

1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one (PubChem CID 89084410) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one
PubChem CID89084410
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one
SMILESCCC(=O)[C@H]1CCC[C@@H]1NC(C)(C)C
InChIInChI=1S/C12H23NO/c1-5-11(14)9-7-6-8-10(9)13-12(2,3)4/h9-10,13H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyBRRRMZVVGAJQRP-UWVGGRQHSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(tert-butylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
CID 138462120
methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
CID 67724946
methyl N-[(2R)-2-propanoylcyclohexyl]carbamate
CID 122592104
1-[2-(methylaminomethyl)cyclopentyl]propan-1-one
CID 166977994
1-(2-methylcyclopentyl)propan-1-one
CID 12930148
1-[(1S,2R)-2-acetylcyclohexyl]propan-1-one
CID 144530099
trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 134429389
tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
CID 104701394
2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 64814112
2-(tert-butylamino)cyclopentane-1-carbaldehyde
CID 88895593
2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 79811925
N,N-dimethyl-2-propanoylcyclohexane-1-carboxamide
CID 144530066

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one?
The IUPAC name of 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one (CID 89084410) is 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one.
What is the SMILES notation for 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one?
The canonical SMILES for 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one is CCC(=O)[C@H]1CCC[C@@H]1NC(C)(C)C.
What is the InChIKey of 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one?
The InChIKey is BRRRMZVVGAJQRP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-11(14)9-7-6-8-10(9)13-12(2,3)4/h9-10,13H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one?
1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one is sourced from PubChem (CID 89084410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).