(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine

C11H16N2 — CID 143298419

IUPAC(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine
SMILES[H]/N=C/C(C=C)=C(C=C)\N=C\C(C)C
InChIInChI=1S/C11H16N2/c1-5-10(7-12)11(6-2)13-8-9(3)4/h5-9,12H,1-2H2,3-4H3/b11-10-,12-7+,13-8+
InChIKeyVEAYSEGBYQXTHO-HYHRAOGSSA-N
MW176.26 g/mol
LogP2.99
Rot. Bonds5

About (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine

(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine (PubChem CID 143298419) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine
PubChem CID143298419
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine
SMILES[H]/N=C/C(C=C)=C(C=C)\N=C\C(C)C
InChIInChI=1S/C11H16N2/c1-5-10(7-12)11(6-2)13-8-9(3)4/h5-9,12H,1-2H2,3-4H3/b11-10-,12-7+,13-8+
InChIKeyVEAYSEGBYQXTHO-HYHRAOGSSA-N
XLogP2.99
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-2-methyl-1-methyliminohepta-2,4,6-trien-3-amine
CID 88860380
N-[(3Z,5Z)-2-methyl-4-(methylideneamino)octa-1,3,5,7-tetraen-3-yl]propan-1-imine
CID 90973145
N-(2,6-dimethylhepta-2,4,6-trien-3-yl)-2-methylpropan-1-imine
CID 123334804
(Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine
CID 123592386
N-[(3E)-3-methylhepta-1,3,5-trien-2-yl]propan-1-imine
CID 123668374
(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
CID 126593736
(3E)-5-methylidene-4-(methylideneamino)-2-prop-2-enyliminohepta-3,6-dien-3-amine
CID 126593773
(7R)-3,7-dimethyl-2-(methyliminomethyl)cyclohepta-1,3,5-trien-1-amine
CID 130225091
(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine
CID 130350966
(2Z)-3-(methyliminomethyl)penta-2,4-dien-2-amine
CID 134188351
(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-amine
CID 134242025
(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine
CID 134333668

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine?
The IUPAC name of (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine (CID 143298419) is (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine.
What is the SMILES notation for (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine?
The canonical SMILES for (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine is [H]/N=C/C(C=C)=C(C=C)\N=C\C(C)C.
What is the InChIKey of (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine?
The InChIKey is VEAYSEGBYQXTHO-HYHRAOGSSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-10(7-12)11(6-2)13-8-9(3)4/h5-9,12H,1-2H2,3-4H3/b11-10-,12-7+,13-8+.
What are the key properties of (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine?
(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine has a molecular weight of 176.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine is sourced from PubChem (CID 143298419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).