(Z)-2-tert-butylbut-2-ene-1,4-diimine

C8H14N2 — CID 89370188

IUPAC(Z)-2-tert-butylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C=C(\C=N\[H])C(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)7(6-10)4-5-9/h4-6,9-10H,1-3H3/b7-4+,9-5+,10-6+
InChIKeyOOOYKAPSPHSRRY-PZINHNJRSA-N
MW138.21 g/mol
LogP2.26
Rot. Bonds2

About (Z)-2-tert-butylbut-2-ene-1,4-diimine

(Z)-2-tert-butylbut-2-ene-1,4-diimine (PubChem CID 89370188) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-2-tert-butylbut-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-2-tert-butylbut-2-ene-1,4-diimine
PubChem CID89370188
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-2-tert-butylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C=C(\C=N\[H])C(C)(C)C
InChIInChI=1S/C8H14N2/c1-8(2,3)7(6-10)4-5-9/h4-6,9-10H,1-3H3/b7-4+,9-5+,10-6+
InChIKeyOOOYKAPSPHSRRY-PZINHNJRSA-N
XLogP2.26
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
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-tert-butylbut-2-ene-1,4-diimine?
The IUPAC name of (Z)-2-tert-butylbut-2-ene-1,4-diimine (CID 89370188) is (Z)-2-tert-butylbut-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-2-tert-butylbut-2-ene-1,4-diimine?
The canonical SMILES for (Z)-2-tert-butylbut-2-ene-1,4-diimine is [H]/N=C/C=C(\C=N\[H])C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butylbut-2-ene-1,4-diimine?
The InChIKey is OOOYKAPSPHSRRY-PZINHNJRSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)7(6-10)4-5-9/h4-6,9-10H,1-3H3/b7-4+,9-5+,10-6+.
What are the key properties of (Z)-2-tert-butylbut-2-ene-1,4-diimine?
(Z)-2-tert-butylbut-2-ene-1,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butylbut-2-ene-1,4-diimine is sourced from PubChem (CID 89370188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).