3-ethyl-N,5,6-trimethylundec-5-en-1-imine

C16H31N — CID 123440001

IUPAC3-ethyl-N,5,6-trimethylundec-5-en-1-imine
SMILESCCCCCC(C)=C(C)CC(CC)C/C=N/C
InChIInChI=1S/C16H31N/c1-6-8-9-10-14(3)15(4)13-16(7-2)11-12-17-5/h12,16H,6-11,13H2,1-5H3/b15-14?,17-12+
InChIKeyXPZWDQHKWIGWOH-OYZKBTQASA-N
MW237.43 g/mol
LogP5.41
Rot. Bonds9

About 3-ethyl-N,5,6-trimethylundec-5-en-1-imine

3-ethyl-N,5,6-trimethylundec-5-en-1-imine (PubChem CID 123440001) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3-ethyl-N,5,6-trimethylundec-5-en-1-imine.

Molecular Properties

Compound Name3-ethyl-N,5,6-trimethylundec-5-en-1-imine
PubChem CID123440001
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3-ethyl-N,5,6-trimethylundec-5-en-1-imine
SMILESCCCCCC(C)=C(C)CC(CC)C/C=N/C
InChIInChI=1S/C16H31N/c1-6-8-9-10-14(3)15(4)13-16(7-2)11-12-17-5/h12,16H,6-11,13H2,1-5H3/b15-14?,17-12+
InChIKeyXPZWDQHKWIGWOH-OYZKBTQASA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.41
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,5,6-trimethylundec-5-en-1-imine?
The IUPAC name of 3-ethyl-N,5,6-trimethylundec-5-en-1-imine (CID 123440001) is 3-ethyl-N,5,6-trimethylundec-5-en-1-imine.
What is the SMILES notation for 3-ethyl-N,5,6-trimethylundec-5-en-1-imine?
The canonical SMILES for 3-ethyl-N,5,6-trimethylundec-5-en-1-imine is CCCCCC(C)=C(C)CC(CC)C/C=N/C.
What is the InChIKey of 3-ethyl-N,5,6-trimethylundec-5-en-1-imine?
The InChIKey is XPZWDQHKWIGWOH-OYZKBTQASA-N. The full InChI is InChI=1S/C16H31N/c1-6-8-9-10-14(3)15(4)13-16(7-2)11-12-17-5/h12,16H,6-11,13H2,1-5H3/b15-14?,17-12+.
What are the key properties of 3-ethyl-N,5,6-trimethylundec-5-en-1-imine?
3-ethyl-N,5,6-trimethylundec-5-en-1-imine has a molecular weight of 237.43 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,5,6-trimethylundec-5-en-1-imine is sourced from PubChem (CID 123440001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).