7-amino-1-cyclopentylheptan-1-one

C12H23NO — CID 116551360

IUPAC7-amino-1-cyclopentylheptan-1-one
SMILESNCCCCCCC(=O)C1CCCC1
InChIInChI=1S/C12H23NO/c13-10-6-2-1-3-9-12(14)11-7-4-5-8-11/h11H,1-10,13H2
InChIKeyNDEKEYIFBVVXAO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.65
Rot. Bonds7

About 7-amino-1-cyclopentylheptan-1-one

7-amino-1-cyclopentylheptan-1-one (PubChem CID 116551360) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 7-amino-1-cyclopentylheptan-1-one.

Molecular Properties

Compound Name7-amino-1-cyclopentylheptan-1-one
PubChem CID116551360
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name7-amino-1-cyclopentylheptan-1-one
SMILESNCCCCCCC(=O)C1CCCC1
InChIInChI=1S/C12H23NO/c13-10-6-2-1-3-9-12(14)11-7-4-5-8-11/h11H,1-10,13H2
InChIKeyNDEKEYIFBVVXAO-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

1,8-di(cyclobutyl)octane-1,8-dione
CID 70972585
CID 140659203
CID 140659203
1-cyclohexyldecan-1-one
CID 63409715
1-cyclooctyl-4-hydroxybutan-1-one
CID 134987719
1-cyclobutyldodecan-1-one
CID 115811550
1-cycloheptylpentan-1-one
CID 65399298
1-cyclobutylnonane-1,8-dione
CID 70928486
8-amino-1-cyclopentyloctan-2-one
CID 116551528
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431
4-bromo-1-cyclohexylbutan-1-one;ethene
CID 20509826
1-cyclopentyl-5,5-dimethylhexan-1-one
CID 59118963

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-cyclopentylheptan-1-one?
The IUPAC name of 7-amino-1-cyclopentylheptan-1-one (CID 116551360) is 7-amino-1-cyclopentylheptan-1-one.
What is the SMILES notation for 7-amino-1-cyclopentylheptan-1-one?
The canonical SMILES for 7-amino-1-cyclopentylheptan-1-one is NCCCCCCC(=O)C1CCCC1.
What is the InChIKey of 7-amino-1-cyclopentylheptan-1-one?
The InChIKey is NDEKEYIFBVVXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-10-6-2-1-3-9-12(14)11-7-4-5-8-11/h11H,1-10,13H2.
What are the key properties of 7-amino-1-cyclopentylheptan-1-one?
7-amino-1-cyclopentylheptan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-cyclopentylheptan-1-one is sourced from PubChem (CID 116551360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).