(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine

C11H18N2 — CID 123601744

IUPAC(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine
SMILES[H]/N=C/C(/N=C(\C)C(=C)C)=C(/C)CC
InChIInChI=1S/C11H18N2/c1-6-9(4)11(7-12)13-10(5)8(2)3/h7,12H,2,6H2,1,3-5H3/b11-9+,12-7+,13-10+
InChIKeyVGXLXJMZAYKISG-KLRYRUGPSA-N
MW178.28 g/mol
LogP3.36
Rot. Bonds4

About (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine

(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine (PubChem CID 123601744) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine.

Molecular Properties

Compound Name(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine
PubChem CID123601744
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine
SMILES[H]/N=C/C(/N=C(\C)C(=C)C)=C(/C)CC
InChIInChI=1S/C11H18N2/c1-6-9(4)11(7-12)13-10(5)8(2)3/h7,12H,2,6H2,1,3-5H3/b11-9+,12-7+,13-10+
InChIKeyVGXLXJMZAYKISG-KLRYRUGPSA-N
XLogP3.36
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
(Z)-4-(methyliminomethyl)hex-3-en-3-amine
CID 90299196
2-[(2Z,6Z)-7-ethyl-4,5-dihydroazocin-2-yl]ethanimine
CID 123178485
(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
CID 123210191
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
(E)-2-[[(Z)-2-ethylbut-2-enylidene]amino]but-1-en-1-amine
CID 123331055
(Z)-3-N-[(Z)-2-methylbut-2-enylidene]hex-2-ene-1,3-diimine
CID 123358061
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
CID 123422802
(Z)-2-methyl-N-(3-methylpent-2-en-2-yl)but-2-en-1-imine
CID 123484845
N-(3,5,6-trimethyl-2,3-dihydropyridin-4-yl)prop-2-en-1-imine
CID 123495116

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine?
The IUPAC name of (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine (CID 123601744) is (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine.
What is the SMILES notation for (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine?
The canonical SMILES for (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine is [H]/N=C/C(/N=C(\C)C(=C)C)=C(/C)CC.
What is the InChIKey of (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine?
The InChIKey is VGXLXJMZAYKISG-KLRYRUGPSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-9(4)11(7-12)13-10(5)8(2)3/h7,12H,2,6H2,1,3-5H3/b11-9+,12-7+,13-10+.
What are the key properties of (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine?
(E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine has a molecular weight of 178.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-N-(3-methylbut-3-en-2-ylidene)pent-2-ene-1,2-diimine is sourced from PubChem (CID 123601744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).