(Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine

C12H20N2 — CID 138466466

IUPAC(Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine
SMILES[H]/N=C/C(C)=C(CC)\N=C\C(=C/C)CC
InChIInChI=1S/C12H20N2/c1-5-11(6-2)9-14-12(7-3)10(4)8-13/h5,8-9,13H,6-7H2,1-4H3/b11-5-,12-10-,13-8+,14-9+
InChIKeySFXNWFVEDJNUDS-DFGHGQOVSA-N
MW192.31 g/mol
LogP3.75
Rot. Bonds5

About (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine

(Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine (PubChem CID 138466466) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine
PubChem CID138466466
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine
SMILES[H]/N=C/C(C)=C(CC)\N=C\C(=C/C)CC
InChIInChI=1S/C12H20N2/c1-5-11(6-2)9-14-12(7-3)10(4)8-13/h5,8-9,13H,6-7H2,1-4H3/b11-5-,12-10-,13-8+,14-9+
InChIKeySFXNWFVEDJNUDS-DFGHGQOVSA-N
XLogP3.75
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.75
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)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine?
The IUPAC name of (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine (CID 138466466) is (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine is [H]/N=C/C(C)=C(CC)\N=C\C(=C/C)CC.
What is the InChIKey of (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine?
The InChIKey is SFXNWFVEDJNUDS-DFGHGQOVSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11(6-2)9-14-12(7-3)10(4)8-13/h5,8-9,13H,6-7H2,1-4H3/b11-5-,12-10-,13-8+,14-9+.
What are the key properties of (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine?
(Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine has a molecular weight of 192.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-[(Z)-2-ethylbut-2-enylidene]-2-methylpent-2-ene-1,3-diimine is sourced from PubChem (CID 138466466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).