1-(2-aminocyclopentyl)heptan-1-one

C12H23NO — CID 116580217

IUPAC1-(2-aminocyclopentyl)heptan-1-one
SMILESCCCCCCC(=O)C1CCCC1N
InChIInChI=1S/C12H23NO/c1-2-3-4-5-9-12(14)10-7-6-8-11(10)13/h10-11H,2-9,13H2,1H3
InChIKeyKREIINXOOQQQKI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.65
Rot. Bonds6

About 1-(2-aminocyclopentyl)heptan-1-one

1-(2-aminocyclopentyl)heptan-1-one (PubChem CID 116580217) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)heptan-1-one.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)heptan-1-one
PubChem CID116580217
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-aminocyclopentyl)heptan-1-one
SMILESCCCCCCC(=O)C1CCCC1N
InChIInChI=1S/C12H23NO/c1-2-3-4-5-9-12(14)10-7-6-8-11(10)13/h10-11H,2-9,13H2,1H3
InChIKeyKREIINXOOQQQKI-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminocyclopentyl)octan-1-one
CID 116580099
1-[(1S,2R)-2-aminocyclopentyl]butan-1-one
CID 178190862
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516
1-(2-methylcyclopentyl)hexan-1-one
CID 107186773
1-cyclobutyldodecan-1-one
CID 115811550
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 171040749
platinum(4+);bis(tetradecanoate);trans-(1R,2R)-cyclohexane-1,2-diamine;dichloride
CID 76683836
1-(2-aminocyclopentyl)pent-4-yn-1-one
CID 116580266
butanedioic acid;hexadecanoic acid;oxalic acid;platinum;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 175019392
1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)heptan-1-one?
The IUPAC name of 1-(2-aminocyclopentyl)heptan-1-one (CID 116580217) is 1-(2-aminocyclopentyl)heptan-1-one.
What is the SMILES notation for 1-(2-aminocyclopentyl)heptan-1-one?
The canonical SMILES for 1-(2-aminocyclopentyl)heptan-1-one is CCCCCCC(=O)C1CCCC1N.
What is the InChIKey of 1-(2-aminocyclopentyl)heptan-1-one?
The InChIKey is KREIINXOOQQQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-9-12(14)10-7-6-8-11(10)13/h10-11H,2-9,13H2,1H3.
What are the key properties of 1-(2-aminocyclopentyl)heptan-1-one?
1-(2-aminocyclopentyl)heptan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)heptan-1-one is sourced from PubChem (CID 116580217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).