4-butyl-N-ethenyl-4-methyldec-1-en-3-imine

C17H31N — CID 130316472

IUPAC4-butyl-N-ethenyl-4-methyldec-1-en-3-imine
SMILESC=C/N=C(\C=C)C(C)(CCCC)CCCCCC
InChIInChI=1S/C17H31N/c1-6-10-12-13-15-17(5,14-11-7-2)16(8-3)18-9-4/h8-9H,3-4,6-7,10-15H2,1-2,5H3/b18-16+
InChIKeyZIRDJCBGCJECPT-FBMGVBCBSA-N
MW249.44 g/mol
LogP5.92
Rot. Bonds11

About 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine

4-butyl-N-ethenyl-4-methyldec-1-en-3-imine (PubChem CID 130316472) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine.

Molecular Properties

Compound Name4-butyl-N-ethenyl-4-methyldec-1-en-3-imine
PubChem CID130316472
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name4-butyl-N-ethenyl-4-methyldec-1-en-3-imine
SMILESC=C/N=C(\C=C)C(C)(CCCC)CCCCCC
InChIInChI=1S/C17H31N/c1-6-10-12-13-15-17(5,14-11-7-2)16(8-3)18-9-4/h8-9H,3-4,6-7,10-15H2,1-2,5H3/b18-16+
InChIKeyZIRDJCBGCJECPT-FBMGVBCBSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine?
The IUPAC name of 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine (CID 130316472) is 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine.
What is the SMILES notation for 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine?
The canonical SMILES for 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine is C=C/N=C(\C=C)C(C)(CCCC)CCCCCC.
What is the InChIKey of 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine?
The InChIKey is ZIRDJCBGCJECPT-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H31N/c1-6-10-12-13-15-17(5,14-11-7-2)16(8-3)18-9-4/h8-9H,3-4,6-7,10-15H2,1-2,5H3/b18-16+.
What are the key properties of 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine?
4-butyl-N-ethenyl-4-methyldec-1-en-3-imine has a molecular weight of 249.44 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-ethenyl-4-methyldec-1-en-3-imine is sourced from PubChem (CID 130316472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).