5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one

C16H32N2O2 — CID 12991955

IUPAC5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one
SMILESCOCCC/C(CC(=O)C(C)(C)C)=N\CCCN(C)C
InChIInChI=1S/C16H32N2O2/c1-16(2,3)15(19)13-14(9-7-12-20-6)17-10-8-11-18(4)5/h7-13H2,1-6H3/b17-14+
InChIKeyCGYNTHAYSXMSQS-SAPNQHFASA-N
MW284.44 g/mol
LogP2.81
Rot. Bonds10

About 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one

5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one (PubChem CID 12991955) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one
PubChem CID12991955
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one
SMILESCOCCC/C(CC(=O)C(C)(C)C)=N\CCCN(C)C
InChIInChI=1S/C16H32N2O2/c1-16(2,3)15(19)13-14(9-7-12-20-6)17-10-8-11-18(4)5/h7-13H2,1-6H3/b17-14+
InChIKeyCGYNTHAYSXMSQS-SAPNQHFASA-N
XLogP2.81
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.81
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

1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
7-methoxy-2,2-dimethylheptan-3-one
CID 58592140
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
CID 58817776
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
1-(dimethylamino)-5-methoxypentan-2-one
CID 114854087
3-[3-(dimethylamino)propylimino]-N,N-dimethylbutanamide
CID 178130175
methyl 4-methoxybutanoate
CID 542317
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
6-methoxy-3-oxohexanoic acid
CID 57018252
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one
CID 113427120
1-[3-(dimethylamino)propyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111406491
methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 158558331

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one?
The IUPAC name of 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one (CID 12991955) is 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one.
What is the SMILES notation for 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one?
The canonical SMILES for 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one is COCCC/C(CC(=O)C(C)(C)C)=N\CCCN(C)C.
What is the InChIKey of 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one?
The InChIKey is CGYNTHAYSXMSQS-SAPNQHFASA-N. The full InChI is InChI=1S/C16H32N2O2/c1-16(2,3)15(19)13-14(9-7-12-20-6)17-10-8-11-18(4)5/h7-13H2,1-6H3/b17-14+.
What are the key properties of 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one?
5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one has a molecular weight of 284.44 g/mol, XLogP of 2.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylimino]-8-methoxy-2,2-dimethyloctan-3-one is sourced from PubChem (CID 12991955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).