8-amino-1-cyclohexyloctan-2-one

C14H27NO — CID 116551525

IUPAC8-amino-1-cyclohexyloctan-2-one
SMILESNCCCCCCC(=O)CC1CCCCC1
InChIInChI=1S/C14H27NO/c15-11-7-2-1-6-10-14(16)12-13-8-4-3-5-9-13/h13H,1-12,15H2
InChIKeyAZJVOCFRDBYBNT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.44
Rot. Bonds8

About 8-amino-1-cyclohexyloctan-2-one

8-amino-1-cyclohexyloctan-2-one (PubChem CID 116551525) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 8-amino-1-cyclohexyloctan-2-one.

Molecular Properties

Compound Name8-amino-1-cyclohexyloctan-2-one
PubChem CID116551525
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name8-amino-1-cyclohexyloctan-2-one
SMILESNCCCCCCC(=O)CC1CCCCC1
InChIInChI=1S/C14H27NO/c15-11-7-2-1-6-10-14(16)12-13-8-4-3-5-9-13/h13H,1-12,15H2
InChIKeyAZJVOCFRDBYBNT-UHFFFAOYSA-N
XLogP3.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.44
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-cyclopentyloctan-2-one
CID 116551528
7-amino-1-(oxan-4-yl)heptan-2-one
CID 116550051
1-cyclohexylnonan-2-one
CID 22768059
1-cyclopentylheptadecan-2-one
CID 142770613
1-cyclopentylundecan-2-one
CID 114966416
1-cyclohexyl-9-methyldecan-2-one
CID 57253495
1-cyclohexyl-17,17,17-trifluoroheptadecan-2-one
CID 70050399
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-9-cycloheptylnonane-1,8-dione
CID 91040441
7-amino-1-cyclopentylheptan-1-one
CID 116551360
1-cycloheptyl-5-ethylsulfonylpentan-2-one
CID 114974504
cyclooctyl 7-aminoheptanoate
CID 21259475

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-cyclohexyloctan-2-one?
The IUPAC name of 8-amino-1-cyclohexyloctan-2-one (CID 116551525) is 8-amino-1-cyclohexyloctan-2-one.
What is the SMILES notation for 8-amino-1-cyclohexyloctan-2-one?
The canonical SMILES for 8-amino-1-cyclohexyloctan-2-one is NCCCCCCC(=O)CC1CCCCC1.
What is the InChIKey of 8-amino-1-cyclohexyloctan-2-one?
The InChIKey is AZJVOCFRDBYBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c15-11-7-2-1-6-10-14(16)12-13-8-4-3-5-9-13/h13H,1-12,15H2.
What are the key properties of 8-amino-1-cyclohexyloctan-2-one?
8-amino-1-cyclohexyloctan-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-cyclohexyloctan-2-one is sourced from PubChem (CID 116551525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).