1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone

C10H19NO2 — CID 116587127

IUPAC1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1CCC(N)C1
InChIInChI=1S/C10H19NO2/c1-7(2)13-6-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3
InChIKeyGQYCISNZZOKWEC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.11
Rot. Bonds4

About 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone

1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone (PubChem CID 116587127) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone
PubChem CID116587127
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1CCC(N)C1
InChIInChI=1S/C10H19NO2/c1-7(2)13-6-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3
InChIKeyGQYCISNZZOKWEC-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone
CID 105105339
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
1-(3-aminocyclopentyl)butan-1-one
CID 116587099
cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323797
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-propan-2-yloxyethanone
CID 116580735
1-[(1R,3S)-3-aminocyclopentyl]ethanone
CID 59688992
1-[(1R,3R)-3-aminocyclopentyl]ethanone
CID 59689000
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 119789233
cis-1-methoxypropan-2-yl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323858
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119809033

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone (CID 116587127) is 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1CCC(N)C1.
What is the InChIKey of 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone?
The InChIKey is GQYCISNZZOKWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)13-6-10(12)8-3-4-9(11)5-8/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone?
1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone has a molecular weight of 185.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 116587127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).