(Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine

C8H14N2 — CID 142494693

IUPAC(Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine
SMILES[H]/N=C/C(C)(C)/C=C\N=C\C
InChIInChI=1S/C8H14N2/c1-4-10-6-5-8(2,3)7-9/h4-7,9H,1-3H3/b6-5-,9-7+,10-4+
InChIKeyVTILRSCENRBJQP-UDIIATAJSA-N
MW138.21 g/mol
LogP2.27
Rot. Bonds3

About (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine

(Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine (PubChem CID 142494693) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine
PubChem CID142494693
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine
SMILES[H]/N=C/C(C)(C)/C=C\N=C\C
InChIInChI=1S/C8H14N2/c1-4-10-6-5-8(2,3)7-9/h4-7,9H,1-3H3/b6-5-,9-7+,10-4+
InChIKeyVTILRSCENRBJQP-UDIIATAJSA-N
XLogP2.27
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
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-2,2-dimethylbut-3-ene-1,4-diimine?
The IUPAC name of (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine (CID 142494693) is (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine.
What is the SMILES notation for (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine?
The canonical SMILES for (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine is [H]/N=C/C(C)(C)/C=C\N=C\C.
What is the InChIKey of (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine?
The InChIKey is VTILRSCENRBJQP-UDIIATAJSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-10-6-5-8(2,3)7-9/h4-7,9H,1-3H3/b6-5-,9-7+,10-4+.
What are the key properties of (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine?
(Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine is sourced from PubChem (CID 142494693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).