8-amino-1-cyclopentyloctan-2-one

C13H25NO — CID 116551528

IUPAC8-amino-1-cyclopentyloctan-2-one
SMILESNCCCCCCC(=O)CC1CCCC1
InChIInChI=1S/C13H25NO/c14-10-6-2-1-3-9-13(15)11-12-7-4-5-8-12/h12H,1-11,14H2
InChIKeyAQUMKAJAFUPOMC-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.05
Rot. Bonds8

About 8-amino-1-cyclopentyloctan-2-one

8-amino-1-cyclopentyloctan-2-one (PubChem CID 116551528) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 8-amino-1-cyclopentyloctan-2-one.

Molecular Properties

Compound Name8-amino-1-cyclopentyloctan-2-one
PubChem CID116551528
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name8-amino-1-cyclopentyloctan-2-one
SMILESNCCCCCCC(=O)CC1CCCC1
InChIInChI=1S/C13H25NO/c14-10-6-2-1-3-9-13(15)11-12-7-4-5-8-12/h12H,1-11,14H2
InChIKeyAQUMKAJAFUPOMC-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.05
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

8-amino-1-cyclohexyloctan-2-one
CID 116551525
7-amino-1-(oxan-4-yl)heptan-2-one
CID 116550051
1-cyclopentylheptadecan-2-one
CID 142770613
1-cyclopentylundecan-2-one
CID 114966416
1-cyclohexylnonan-2-one
CID 22768059
1-cyclohexyl-17,17,17-trifluoroheptadecan-2-one
CID 70050399
1-cyclohexyl-9-methyldecan-2-one
CID 57253495
7-amino-1-cyclopentylheptan-1-one
CID 116551360
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
4-chloro-1-cyclopentylbutan-2-one
CID 57105586
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-9-cycloheptylnonane-1,8-dione
CID 91040441
7-amino-1-hydroxyheptan-2-one
CID 58492627

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-cyclopentyloctan-2-one?
The IUPAC name of 8-amino-1-cyclopentyloctan-2-one (CID 116551528) is 8-amino-1-cyclopentyloctan-2-one.
What is the SMILES notation for 8-amino-1-cyclopentyloctan-2-one?
The canonical SMILES for 8-amino-1-cyclopentyloctan-2-one is NCCCCCCC(=O)CC1CCCC1.
What is the InChIKey of 8-amino-1-cyclopentyloctan-2-one?
The InChIKey is AQUMKAJAFUPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c14-10-6-2-1-3-9-13(15)11-12-7-4-5-8-12/h12H,1-11,14H2.
What are the key properties of 8-amino-1-cyclopentyloctan-2-one?
8-amino-1-cyclopentyloctan-2-one has a molecular weight of 211.35 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-cyclopentyloctan-2-one is sourced from PubChem (CID 116551528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).