3,7-diethyl-6-propan-2-yliminononan-4-one

C16H31NO — CID 170678633

IUPAC3,7-diethyl-6-propan-2-yliminononan-4-one
SMILESCCC(CC)C(=O)C/C(=N/C(C)C)C(CC)CC
InChIInChI=1S/C16H31NO/c1-7-13(8-2)15(17-12(5)6)11-16(18)14(9-3)10-4/h12-14H,7-11H2,1-6H3/b17-15-
InChIKeyFVXQGTXKBPJVHY-ICFOKQHNSA-N
MW253.43 g/mol
LogP4.67
Rot. Bonds9

About 3,7-diethyl-6-propan-2-yliminononan-4-one

3,7-diethyl-6-propan-2-yliminononan-4-one (PubChem CID 170678633) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3,7-diethyl-6-propan-2-yliminononan-4-one.

Molecular Properties

Compound Name3,7-diethyl-6-propan-2-yliminononan-4-one
PubChem CID170678633
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3,7-diethyl-6-propan-2-yliminononan-4-one
SMILESCCC(CC)C(=O)C/C(=N/C(C)C)C(CC)CC
InChIInChI=1S/C16H31NO/c1-7-13(8-2)15(17-12(5)6)11-16(18)14(9-3)10-4/h12-14H,7-11H2,1-6H3/b17-15-
InChIKeyFVXQGTXKBPJVHY-ICFOKQHNSA-N
XLogP4.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.67
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 3,7-diethyl-6-propan-2-yliminononan-4-one?
The IUPAC name of 3,7-diethyl-6-propan-2-yliminononan-4-one (CID 170678633) is 3,7-diethyl-6-propan-2-yliminononan-4-one.
What is the SMILES notation for 3,7-diethyl-6-propan-2-yliminononan-4-one?
The canonical SMILES for 3,7-diethyl-6-propan-2-yliminononan-4-one is CCC(CC)C(=O)C/C(=N/C(C)C)C(CC)CC.
What is the InChIKey of 3,7-diethyl-6-propan-2-yliminononan-4-one?
The InChIKey is FVXQGTXKBPJVHY-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-13(8-2)15(17-12(5)6)11-16(18)14(9-3)10-4/h12-14H,7-11H2,1-6H3/b17-15-.
What are the key properties of 3,7-diethyl-6-propan-2-yliminononan-4-one?
3,7-diethyl-6-propan-2-yliminononan-4-one has a molecular weight of 253.43 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-6-propan-2-yliminononan-4-one is sourced from PubChem (CID 170678633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).