(Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine

C11H20N2 — CID 143822419

IUPAC(Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine
SMILESC/C=N/C(C)=C(C)\C(CCC)=N\C
InChIInChI=1S/C11H20N2/c1-6-8-11(12-5)9(3)10(4)13-7-2/h7H,6,8H2,1-5H3/b10-9-,12-11+,13-7+
InChIKeyGJJAGUOFGBSYNS-AAXZQQRJSA-N
MW180.29 g/mol
LogP3.24
Rot. Bonds4

About (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine

(Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine (PubChem CID 143822419) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine
PubChem CID143822419
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine
SMILESC/C=N/C(C)=C(C)\C(CCC)=N\C
InChIInChI=1S/C11H20N2/c1-6-8-11(12-5)9(3)10(4)13-7-2/h7H,6,8H2,1-5H3/b10-9-,12-11+,13-7+
InChIKeyGJJAGUOFGBSYNS-AAXZQQRJSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine?
The IUPAC name of (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine (CID 143822419) is (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine.
What is the SMILES notation for (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine?
The canonical SMILES for (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine is C/C=N/C(C)=C(C)\C(CCC)=N\C.
What is the InChIKey of (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine?
The InChIKey is GJJAGUOFGBSYNS-AAXZQQRJSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-8-11(12-5)9(3)10(4)13-7-2/h7H,6,8H2,1-5H3/b10-9-,12-11+,13-7+.
What are the key properties of (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine?
(Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine has a molecular weight of 180.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine is sourced from PubChem (CID 143822419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).