7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine

C16H31N — CID 129143347

IUPAC7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine
SMILESC=C(C)CC(C)/C(CC(CC)(CC)CC)=N\C
InChIInChI=1S/C16H31N/c1-8-16(9-2,10-3)12-15(17-7)14(6)11-13(4)5/h14H,4,8-12H2,1-3,5-7H3/b17-15-
InChIKeyZSACBDWOPNKRBA-ICFOKQHNSA-N
MW237.43 g/mol
LogP5.27
Rot. Bonds8

About 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine

7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine (PubChem CID 129143347) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine.

Molecular Properties

Compound Name7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine
PubChem CID129143347
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine
SMILESC=C(C)CC(C)/C(CC(CC)(CC)CC)=N\C
InChIInChI=1S/C16H31N/c1-8-16(9-2,10-3)12-15(17-7)14(6)11-13(4)5/h14H,4,8-12H2,1-3,5-7H3/b17-15-
InChIKeyZSACBDWOPNKRBA-ICFOKQHNSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine?
The IUPAC name of 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine (CID 129143347) is 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine.
What is the SMILES notation for 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine?
The canonical SMILES for 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine is C=C(C)CC(C)/C(CC(CC)(CC)CC)=N\C.
What is the InChIKey of 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine?
The InChIKey is ZSACBDWOPNKRBA-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H31N/c1-8-16(9-2,10-3)12-15(17-7)14(6)11-13(4)5/h14H,4,8-12H2,1-3,5-7H3/b17-15-.
What are the key properties of 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine?
7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine has a molecular weight of 237.43 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-N,2,4-trimethylnon-1-en-5-imine is sourced from PubChem (CID 129143347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).