5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one

C18H32N2O2 — CID 100925533

IUPAC5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one
SMILESC/C(CC(=O)C(C)(C)C)=N\CC/N=C(\C)CC(=O)C(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-13(11-15(21)17(3,4)5)19-9-10-20-14(2)12-16(22)18(6,7)8/h9-12H2,1-8H3/b19-13+,20-14+
InChIKeyUVBOCFWIQKGGMH-IWGRKNQJSA-N
MW308.47 g/mol
LogP3.92
Rot. Bonds7

About 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one

5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one (PubChem CID 100925533) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one
PubChem CID100925533
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one
SMILESC/C(CC(=O)C(C)(C)C)=N\CC/N=C(\C)CC(=O)C(C)(C)C
InChIInChI=1S/C18H32N2O2/c1-13(11-15(21)17(3,4)5)19-9-10-20-14(2)12-16(22)18(6,7)8/h9-12H2,1-8H3/b19-13+,20-14+
InChIKeyUVBOCFWIQKGGMH-IWGRKNQJSA-N
XLogP3.92
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one with MolForge

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Launch Full Analysis

Related Compounds

[N,N'-ethylene-bis(6-methyl-4-oxoheptan-2-imine)]
CID 100946255
1-[2-[(4,4-Dimethyl-3-oxopentylidene)amino]ethylimino]-4,4-dimethylpentan-3-one
CID 18322626
2,2,7-Trimethyl-5-[2-[(2,7,7-trimethyl-6-oxooctan-4-ylidene)amino]ethylimino]octan-3-one
CID 20210166
2,2-Dimethyl-5-(dimethylaminoethyl-imino)-3-hexanone
CID 51050327
2-[2,2-Dimethyl-3-(3-oxohexan-2-ylideneamino)propyl]iminohexan-3-one
CID 57118121
5-Ethylimino-2,2-dimethylhexan-3-one
CID 87204870
5-[2-(Diethylamino)ethylimino]-2,2-dimethylhexan-3-one
CID 87305222
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 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one?
The IUPAC name of 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one (CID 100925533) is 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one.
What is the SMILES notation for 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one?
The canonical SMILES for 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one is C/C(CC(=O)C(C)(C)C)=N\CC/N=C(\C)CC(=O)C(C)(C)C.
What is the InChIKey of 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one?
The InChIKey is UVBOCFWIQKGGMH-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13(11-15(21)17(3,4)5)19-9-10-20-14(2)12-16(22)18(6,7)8/h9-12H2,1-8H3/b19-13+,20-14+.
What are the key properties of 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one?
5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one has a molecular weight of 308.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5,5-dimethyl-4-oxohexan-2-ylidene)amino]ethylimino]-2,2-dimethylhexan-3-one is sourced from PubChem (CID 100925533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).