(Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine

C14H26N2 — CID 122535934

IUPAC(Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine
SMILESCCCCC/N=C(/C=C\C=N\C)CCCC
InChIInChI=1S/C14H26N2/c1-4-6-8-13-16-14(10-7-5-2)11-9-12-15-3/h9,11-12H,4-8,10,13H2,1-3H3/b11-9-,15-12+,16-14+
InChIKeyQVIWLSGTKJUKBT-HUBSULSCSA-N
MW222.38 g/mol
LogP4.06
Rot. Bonds9

About (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine

(Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine (PubChem CID 122535934) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine
PubChem CID122535934
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine
SMILESCCCCC/N=C(/C=C\C=N\C)CCCC
InChIInChI=1S/C14H26N2/c1-4-6-8-13-16-14(10-7-5-2)11-9-12-15-3/h9,11-12H,4-8,10,13H2,1-3H3/b11-9-,15-12+,16-14+
InChIKeyQVIWLSGTKJUKBT-HUBSULSCSA-N
XLogP4.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine?
The IUPAC name of (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine (CID 122535934) is (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine is CCCCC/N=C(/C=C\C=N\C)CCCC.
What is the InChIKey of (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine?
The InChIKey is QVIWLSGTKJUKBT-HUBSULSCSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-6-8-13-16-14(10-7-5-2)11-9-12-15-3/h9,11-12H,4-8,10,13H2,1-3H3/b11-9-,15-12+,16-14+.
What are the key properties of (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine?
(Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine has a molecular weight of 222.38 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methyl-4-N-pentyloct-2-ene-1,4-diimine is sourced from PubChem (CID 122535934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).