(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine

C9H13N3 — CID 143616909

IUPAC(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(\C)=N\C=C
InChIInChI=1S/C9H13N3/c1-4-12-8(3)9(11)6-5-7(2)10/h4-6,10-11H,1H2,2-3H3/b6-5-,10-7+,11-9-,12-8+
InChIKeyHKMPZIKAUREWCK-SDTDOALFSA-N
MW163.22 g/mol
LogP2.21
Rot. Bonds4

About (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine

(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine (PubChem CID 143616909) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine.

Molecular Properties

Compound Name(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine
PubChem CID143616909
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(\C)=N\C=C
InChIInChI=1S/C9H13N3/c1-4-12-8(3)9(11)6-5-7(2)10/h4-6,10-11H,1H2,2-3H3/b6-5-,10-7+,11-9-,12-8+
InChIKeyHKMPZIKAUREWCK-SDTDOALFSA-N
XLogP2.21
TPSA60.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine?
The IUPAC name of (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine (CID 143616909) is (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine.
What is the SMILES notation for (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine?
The canonical SMILES for (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine is [H]/N=C(/C=C\C(C)=N\[H])C(\C)=N\C=C.
What is the InChIKey of (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine?
The InChIKey is HKMPZIKAUREWCK-SDTDOALFSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-12-8(3)9(11)6-5-7(2)10/h4-6,10-11H,1H2,2-3H3/b6-5-,10-7+,11-9-,12-8+.
What are the key properties of (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine?
(Z)-2-N-ethenylhept-4-ene-2,3,6-triimine has a molecular weight of 163.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-ethenylhept-4-ene-2,3,6-triimine is sourced from PubChem (CID 143616909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).