(Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine

C7H12N2 — CID 88575448

IUPAC(Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine
SMILESC/C=N/C=C(C)\C=N\C
InChIInChI=1S/C7H12N2/c1-4-9-6-7(2)5-8-3/h4-6H,1-3H3/b7-6-,8-5+,9-4+
InChIKeyAIGUSSZTPCIMSZ-MMDPPNBZSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds2

About (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine

(Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine (PubChem CID 88575448) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine
PubChem CID88575448
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine
SMILESC/C=N/C=C(C)\C=N\C
InChIInChI=1S/C7H12N2/c1-4-9-6-7(2)5-8-3/h4-6H,1-3H3/b7-6-,8-5+,9-4+
InChIKeyAIGUSSZTPCIMSZ-MMDPPNBZSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.68
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)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine (CID 88575448) is (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine is C/C=N/C=C(C)\C=N\C.
What is the InChIKey of (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine?
The InChIKey is AIGUSSZTPCIMSZ-MMDPPNBZSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-9-6-7(2)5-8-3/h4-6H,1-3H3/b7-6-,8-5+,9-4+.
What are the key properties of (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine?
(Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethylidene-N,2-dimethylprop-2-ene-1,3-diimine is sourced from PubChem (CID 88575448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).