1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one

C13H21NO — CID 130479004

IUPAC1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one
SMILESCC(C)(C)C#CCC(=O)C1CCC(N)C1
InChIInChI=1S/C13H21NO/c1-13(2,3)8-4-5-12(15)10-6-7-11(14)9-10/h10-11H,5-7,9,14H2,1-3H3
InChIKeyFSCYCHXRESTHSW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.12
Rot. Bonds2

About 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one

1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one (PubChem CID 130479004) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one.

Molecular Properties

Compound Name1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one
PubChem CID130479004
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one
SMILESCC(C)(C)C#CCC(=O)C1CCC(N)C1
InChIInChI=1S/C13H21NO/c1-13(2,3)8-4-5-12(15)10-6-7-11(14)9-10/h10-11H,5-7,9,14H2,1-3H3
InChIKeyFSCYCHXRESTHSW-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-1-(thietan-3-yl)hex-3-yn-1-one
CID 164657404
5,5-dimethyl-1-pyrrolidin-3-ylhex-3-yn-1-one
CID 130478991
1-(3-aminocyclopentyl)butan-1-one
CID 116587099
1-[(1R,3R)-3-aminocyclopentyl]ethanone
CID 59689000
1-[(1R,3S)-3-aminocyclopentyl]ethanone
CID 59688992
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone
CID 116587127
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclopentane-1-carboxamide
CID 66009158
1-(3-aminocyclohexyl)-3-methylidenepentan-1-one
CID 116569028
3-amino-N-[3-(aminomethyl)pentan-3-yl]cyclopentane-1-carboxamide
CID 122080567

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one?
The IUPAC name of 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one (CID 130479004) is 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one.
What is the SMILES notation for 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one?
The canonical SMILES for 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one is CC(C)(C)C#CCC(=O)C1CCC(N)C1.
What is the InChIKey of 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one?
The InChIKey is FSCYCHXRESTHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,3)8-4-5-12(15)10-6-7-11(14)9-10/h10-11H,5-7,9,14H2,1-3H3.
What are the key properties of 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one?
1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentyl)-5,5-dimethylhex-3-yn-1-one is sourced from PubChem (CID 130479004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).