ethane;(Z)-2-methylbut-2-ene-1,4-diimine

C7H14N2 — CID 142083351

IUPACethane;(Z)-2-methylbut-2-ene-1,4-diimine
SMILESCC.[H]/N=C/C=C(C)\C=N\[H]
InChIInChI=1S/C5H8N2.C2H6/c1-5(4-7)2-3-6;1-2/h2-4,6-7H,1H3;1-2H3/b5-2-,6-3+,7-4+;
InChIKeyNYTVXGZXNSAEHB-DPEYYSDJSA-N
MW126.20 g/mol
LogP2.26
Rot. Bonds2

About ethane;(Z)-2-methylbut-2-ene-1,4-diimine

ethane;(Z)-2-methylbut-2-ene-1,4-diimine (PubChem CID 142083351) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;(Z)-2-methylbut-2-ene-1,4-diimine.

Molecular Properties

Compound Nameethane;(Z)-2-methylbut-2-ene-1,4-diimine
PubChem CID142083351
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;(Z)-2-methylbut-2-ene-1,4-diimine
SMILESCC.[H]/N=C/C=C(C)\C=N\[H]
InChIInChI=1S/C5H8N2.C2H6/c1-5(4-7)2-3-6;1-2/h2-4,6-7H,1H3;1-2H3/b5-2-,6-3+,7-4+;
InChIKeyNYTVXGZXNSAEHB-DPEYYSDJSA-N
XLogP2.26
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
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 ethane;(Z)-2-methylbut-2-ene-1,4-diimine?
The IUPAC name of ethane;(Z)-2-methylbut-2-ene-1,4-diimine (CID 142083351) is ethane;(Z)-2-methylbut-2-ene-1,4-diimine.
What is the SMILES notation for ethane;(Z)-2-methylbut-2-ene-1,4-diimine?
The canonical SMILES for ethane;(Z)-2-methylbut-2-ene-1,4-diimine is CC.[H]/N=C/C=C(C)\C=N\[H].
What is the InChIKey of ethane;(Z)-2-methylbut-2-ene-1,4-diimine?
The InChIKey is NYTVXGZXNSAEHB-DPEYYSDJSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-5(4-7)2-3-6;1-2/h2-4,6-7H,1H3;1-2H3/b5-2-,6-3+,7-4+;.
What are the key properties of ethane;(Z)-2-methylbut-2-ene-1,4-diimine?
ethane;(Z)-2-methylbut-2-ene-1,4-diimine has a molecular weight of 126.20 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 ethane;(Z)-2-methylbut-2-ene-1,4-diimine is sourced from PubChem (CID 142083351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).