2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one

C18H32N2O2 — CID 100946255

IUPAC2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one
SMILESC/C(CC(=O)CC(C)C)=N\CC/N=C(\C)CC(=O)CC(C)C
InChIInChI=1S/C18H32N2O2/c1-13(2)9-17(21)11-15(5)19-7-8-20-16(6)12-18(22)10-14(3)4/h13-14H,7-12H2,1-6H3/b19-15+,20-16+
InChIKeyRVOQHVWRMREPBD-MXWIWYRXSA-N
MW308.47 g/mol
LogP3.92
Rot. Bonds11

About 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one

2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one (PubChem CID 100946255) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one.

Molecular Properties

Compound Name2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one
PubChem CID100946255
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one
SMILESC/C(CC(=O)CC(C)C)=N\CC/N=C(\C)CC(=O)CC(C)C
InChIInChI=1S/C18H32N2O2/c1-13(2)9-17(21)11-15(5)19-7-8-20-16(6)12-18(22)10-14(3)4/h13-14H,7-12H2,1-6H3/b19-15+,20-16+
InChIKeyRVOQHVWRMREPBD-MXWIWYRXSA-N
XLogP3.92
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4-[2-[(3-methyl-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
CID 333937
1,4,10,13-Tetraazacyclooctadeca-4,9,13,18-tetraene-7,16-dione, 5,9,14,18-tetramethyl-
CID 630374
2,2,7-Trimethyl-5-[2-[(2,7,7-trimethyl-6-oxooctan-4-ylidene)amino]ethylimino]octan-3-one
CID 20210166
(3R)-3-methyl-4-[2-[[(3S)-3-methyl-4-oxopentan-2-ylidene]amino]ethylimino]pentan-2-one
CID 92764387
5-[2-[(5,5-Dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one
CID 100925533
5-Methyl-2-[2-[(5-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one
CID 101625749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one?
The IUPAC name of 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one (CID 100946255) is 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one.
What is the SMILES notation for 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one?
The canonical SMILES for 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one is C/C(CC(=O)CC(C)C)=N\CC/N=C(\C)CC(=O)CC(C)C.
What is the InChIKey of 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one?
The InChIKey is RVOQHVWRMREPBD-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13(2)9-17(21)11-15(5)19-7-8-20-16(6)12-18(22)10-14(3)4/h13-14H,7-12H2,1-6H3/b19-15+,20-16+.
What are the key properties of 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one?
2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one has a molecular weight of 308.47 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[(6-methyl-4-oxoheptan-2-ylidene)amino]ethylimino]heptan-4-one is sourced from PubChem (CID 100946255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).