(E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine

C18H33N — CID 172567478

IUPAC(E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine
SMILESC=C(CCCCCCC)C(=N\C)/C(=C/CCC)CC
InChIInChI=1S/C18H33N/c1-6-9-11-12-13-14-16(4)18(19-5)17(8-3)15-10-7-2/h15H,4,6-14H2,1-3,5H3/b17-15+,19-18+
InChIKeyUBBRVQXFAXUVSC-CBNHHMLQSA-N
MW263.47 g/mol
LogP6.11
Rot. Bonds11

About (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine

(E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine (PubChem CID 172567478) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine.

Molecular Properties

Compound Name(E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine
PubChem CID172567478
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine
SMILESC=C(CCCCCCC)C(=N\C)/C(=C/CCC)CC
InChIInChI=1S/C18H33N/c1-6-9-11-12-13-14-16(4)18(19-5)17(8-3)15-10-7-2/h15H,4,6-14H2,1-3,5H3/b17-15+,19-18+
InChIKeyUBBRVQXFAXUVSC-CBNHHMLQSA-N
XLogP6.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.11
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 (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine?
The IUPAC name of (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine (CID 172567478) is (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine.
What is the SMILES notation for (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine?
The canonical SMILES for (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine is C=C(CCCCCCC)C(=N\C)/C(=C/CCC)CC.
What is the InChIKey of (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine?
The InChIKey is UBBRVQXFAXUVSC-CBNHHMLQSA-N. The full InChI is InChI=1S/C18H33N/c1-6-9-11-12-13-14-16(4)18(19-5)17(8-3)15-10-7-2/h15H,4,6-14H2,1-3,5H3/b17-15+,19-18+.
What are the key properties of (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine?
(E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine has a molecular weight of 263.47 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-N-methyl-7-methylidenetetradec-4-en-6-imine is sourced from PubChem (CID 172567478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).