9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one

C16H29NO — CID 145491560

IUPAC9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one
SMILESCC(CCC1=CCCCC1)C(=O)CCCCCN
InChIInChI=1S/C16H29NO/c1-14(16(18)10-6-3-7-13-17)11-12-15-8-4-2-5-9-15/h8,14H,2-7,9-13,17H2,1H3
InChIKeyFAXSYGNKINWZGQ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.99
Rot. Bonds9

About 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one

9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one (PubChem CID 145491560) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one.

Molecular Properties

Compound Name9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one
PubChem CID145491560
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one
SMILESCC(CCC1=CCCCC1)C(=O)CCCCCN
InChIInChI=1S/C16H29NO/c1-14(16(18)10-6-3-7-13-17)11-12-15-8-4-2-5-9-15/h8,14H,2-7,9-13,17H2,1H3
InChIKeyFAXSYGNKINWZGQ-UHFFFAOYSA-N
XLogP3.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one?
The IUPAC name of 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one (CID 145491560) is 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one.
What is the SMILES notation for 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one?
The canonical SMILES for 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one is CC(CCC1=CCCCC1)C(=O)CCCCCN.
What is the InChIKey of 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one?
The InChIKey is FAXSYGNKINWZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-14(16(18)10-6-3-7-13-17)11-12-15-8-4-2-5-9-15/h8,14H,2-7,9-13,17H2,1H3.
What are the key properties of 9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one?
9-amino-1-(cyclohexen-1-yl)-3-methylnonan-4-one has a molecular weight of 251.41 g/mol, XLogP of 3.99, 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)-3-methylnonan-4-one is sourced from PubChem (CID 145491560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).