2,8-dimethyl-6-methyliminononan-4-one

C12H23NO — CID 135293108

IUPAC2,8-dimethyl-6-methyliminononan-4-one
SMILESC/N=C(/CC(=O)CC(C)C)CC(C)C
InChIInChI=1S/C12H23NO/c1-9(2)6-11(13-5)8-12(14)7-10(3)4/h9-10H,6-8H2,1-5H3/b13-11+
InChIKeyRJFAFTPXFUZJOC-ACCUITESSA-N
MW197.32 g/mol
LogP3.11
Rot. Bonds6

About 2,8-dimethyl-6-methyliminononan-4-one

2,8-dimethyl-6-methyliminononan-4-one (PubChem CID 135293108) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,8-dimethyl-6-methyliminononan-4-one.

Molecular Properties

Compound Name2,8-dimethyl-6-methyliminononan-4-one
PubChem CID135293108
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,8-dimethyl-6-methyliminononan-4-one
SMILESC/N=C(/CC(=O)CC(C)C)CC(C)C
InChIInChI=1S/C12H23NO/c1-9(2)6-11(13-5)8-12(14)7-10(3)4/h9-10H,6-8H2,1-5H3/b13-11+
InChIKeyRJFAFTPXFUZJOC-ACCUITESSA-N
XLogP3.11
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6-methyliminononan-4-one?
The IUPAC name of 2,8-dimethyl-6-methyliminononan-4-one (CID 135293108) is 2,8-dimethyl-6-methyliminononan-4-one.
What is the SMILES notation for 2,8-dimethyl-6-methyliminononan-4-one?
The canonical SMILES for 2,8-dimethyl-6-methyliminononan-4-one is C/N=C(/CC(=O)CC(C)C)CC(C)C.
What is the InChIKey of 2,8-dimethyl-6-methyliminononan-4-one?
The InChIKey is RJFAFTPXFUZJOC-ACCUITESSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)6-11(13-5)8-12(14)7-10(3)4/h9-10H,6-8H2,1-5H3/b13-11+.
What are the key properties of 2,8-dimethyl-6-methyliminononan-4-one?
2,8-dimethyl-6-methyliminononan-4-one has a molecular weight of 197.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6-methyliminononan-4-one is sourced from PubChem (CID 135293108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).