1-(1-aminocyclohexyl)non-8-en-2-one

C15H27NO — CID 107010892

IUPAC1-(1-aminocyclohexyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C15H27NO/c1-2-3-4-5-7-10-14(17)13-15(16)11-8-6-9-12-15/h2H,1,3-13,16H2
InChIKeyYPCFIDZIPBJMLK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.74
Rot. Bonds8

About 1-(1-aminocyclohexyl)non-8-en-2-one

1-(1-aminocyclohexyl)non-8-en-2-one (PubChem CID 107010892) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)non-8-en-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)non-8-en-2-one
PubChem CID107010892
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(1-aminocyclohexyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1(N)CCCCC1
InChIInChI=1S/C15H27NO/c1-2-3-4-5-7-10-14(17)13-15(16)11-8-6-9-12-15/h2H,1,3-13,16H2
InChIKeyYPCFIDZIPBJMLK-UHFFFAOYSA-N
XLogP3.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.74
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

1-(1-aminocyclohexyl)hept-6-en-2-one
CID 116579053
1-(1-aminocyclopentyl)pent-4-en-2-one
CID 116578589
tricosa-1,22-dien-12-one
CID 86210796
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
1-(1-aminocyclohexyl)-5-methylsulfonylpentan-2-one
CID 116578935
1-(1-aminocyclopentyl)-6-methylheptan-2-one
CID 116578739
nonadec-18-enamide
CID 166991988
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
1-(1-ethylcyclopentyl)oct-7-en-1-one
CID 107011252
1-(1-aminocyclopropyl)pent-4-en-2-one
CID 130796920
1-(1-hydroxycycloheptyl)hex-5-en-1-one
CID 103450126
hexadec-15-en-5-one
CID 91482743

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)non-8-en-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)non-8-en-2-one (CID 107010892) is 1-(1-aminocyclohexyl)non-8-en-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)non-8-en-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)non-8-en-2-one is C=CCCCCCC(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)non-8-en-2-one?
The InChIKey is YPCFIDZIPBJMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-4-5-7-10-14(17)13-15(16)11-8-6-9-12-15/h2H,1,3-13,16H2.
What are the key properties of 1-(1-aminocyclohexyl)non-8-en-2-one?
1-(1-aminocyclohexyl)non-8-en-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)non-8-en-2-one is sourced from PubChem (CID 107010892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).