9-amino-1-(cyclohexen-1-yl)nonan-4-one

C15H27NO — CID 71055210

IUPAC9-amino-1-(cyclohexen-1-yl)nonan-4-one
SMILESNCCCCCC(=O)CCCC1=CCCCC1
InChIInChI=1S/C15H27NO/c16-13-6-2-5-11-15(17)12-7-10-14-8-3-1-4-9-14/h8H,1-7,9-13,16H2
InChIKeyHDZDGLCGDUMGRY-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.75
Rot. Bonds9

About 9-amino-1-(cyclohexen-1-yl)nonan-4-one

9-amino-1-(cyclohexen-1-yl)nonan-4-one (PubChem CID 71055210) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 9-amino-1-(cyclohexen-1-yl)nonan-4-one.

Molecular Properties

Compound Name9-amino-1-(cyclohexen-1-yl)nonan-4-one
PubChem CID71055210
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name9-amino-1-(cyclohexen-1-yl)nonan-4-one
SMILESNCCCCCC(=O)CCCC1=CCCCC1
InChIInChI=1S/C15H27NO/c16-13-6-2-5-11-15(17)12-7-10-14-8-3-1-4-9-14/h8H,1-7,9-13,16H2
InChIKeyHDZDGLCGDUMGRY-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 165359181
6-(cyclohexen-1-yl)-3-oxohexanenitrile
CID 121011006
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CID 23035884
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
CID 56669533
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
12-amino-7-oxododecanoic acid
CID 4206597
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
1-octylcyclohexene
CID 519088
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-nonylcyclooctene
CID 151486862

Frequently Asked Questions

What is the IUPAC name of 9-amino-1-(cyclohexen-1-yl)nonan-4-one?
The IUPAC name of 9-amino-1-(cyclohexen-1-yl)nonan-4-one (CID 71055210) is 9-amino-1-(cyclohexen-1-yl)nonan-4-one.
What is the SMILES notation for 9-amino-1-(cyclohexen-1-yl)nonan-4-one?
The canonical SMILES for 9-amino-1-(cyclohexen-1-yl)nonan-4-one is NCCCCCC(=O)CCCC1=CCCCC1.
What is the InChIKey of 9-amino-1-(cyclohexen-1-yl)nonan-4-one?
The InChIKey is HDZDGLCGDUMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c16-13-6-2-5-11-15(17)12-7-10-14-8-3-1-4-9-14/h8H,1-7,9-13,16H2.
What are the key properties of 9-amino-1-(cyclohexen-1-yl)nonan-4-one?
9-amino-1-(cyclohexen-1-yl)nonan-4-one has a molecular weight of 237.39 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1-(cyclohexen-1-yl)nonan-4-one is sourced from PubChem (CID 71055210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).