(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine

C11H18N2 — CID 123358061

IUPAC(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine
SMILES[H]/N=C/C=C(CCC)\N=C\C(C)=C/C
InChIInChI=1S/C11H18N2/c1-4-6-11(7-8-12)13-9-10(3)5-2/h5,7-9,12H,4,6H2,1-3H3/b10-5-,11-7-,12-8+,13-9+
InChIKeyMXQGCAMACORZDJ-GLTYPNEYSA-N
MW178.28 g/mol
LogP3.36
Rot. Bonds5

About (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine

(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine (PubChem CID 123358061) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine
PubChem CID123358061
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine
SMILES[H]/N=C/C=C(CCC)\N=C\C(C)=C/C
InChIInChI=1S/C11H18N2/c1-4-6-11(7-8-12)13-9-10(3)5-2/h5,7-9,12H,4,6H2,1-3H3/b10-5-,11-7-,12-8+,13-9+
InChIKeyMXQGCAMACORZDJ-GLTYPNEYSA-N
XLogP3.36
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine with MolForge

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Related Compounds

(E)-4-fluoro-5-[(E)-2-methylbut-2-enyl]iminopent-2-en-2-amine
CID 137410374
1-(2-Fluoro-3-methylbut-3-enyl)imino-4-methylpent-2-en-3-amine
CID 173933091
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
3-Tert-butylimino-1-cyclopropylprop-1-en-1-amine
CID 73110243
(Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine
CID 89170044
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
(3Z)-3-[1-(ethylideneamino)ethylidene]pyridin-4-imine
CID 89712822
1-(5-methyl-3,4-dihydropyridin-6-yl)-N-prop-1-en-2-ylmethanimine
CID 89748394
N-[(2Z,4E)-4-ethylhexa-2,4-dien-3-yl]propan-1-imine
CID 89881302
3,3-dimethyl-5-N-(2-methylpropylidene)hex-4-ene-1,5-diimine
CID 90786085

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine?
The IUPAC name of (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine (CID 123358061) is (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine is [H]/N=C/C=C(CCC)\N=C\C(C)=C/C.
What is the InChIKey of (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine?
The InChIKey is MXQGCAMACORZDJ-GLTYPNEYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-6-11(7-8-12)13-9-10(3)5-2/h5,7-9,12H,4,6H2,1-3H3/b10-5-,11-7-,12-8+,13-9+.
What are the key properties of (Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine?
(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine has a molecular weight of 178.28 g/mol, XLogP of 3.36, 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-methylbut-2-enylidene]hex-2-ene-1,3-diimine is sourced from PubChem (CID 123358061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).