(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide

C12H18N2 — CID 142471487

IUPAC(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
SMILESC=CNC(=N\C)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C12H18N2/c1-6-8-9-11(10(3)4)12(13-5)14-7-2/h6-9H,2-3H2,1,4-5H3,(H,13,14)/b8-6-,11-9+
InChIKeyBVYCNOUWHDUIMK-ZOEDNYEGSA-N
MW190.29 g/mol
LogP2.83
Rot. Bonds4

About (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide

(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide (PubChem CID 142471487) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
PubChem CID142471487
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
SMILESC=CNC(=N\C)/C(=C/C=C\C)C(=C)C
InChIInChI=1S/C12H18N2/c1-6-8-9-11(10(3)4)12(13-5)14-7-2/h6-9H,2-3H2,1,4-5H3,(H,13,14)/b8-6-,11-9+
InChIKeyBVYCNOUWHDUIMK-ZOEDNYEGSA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide (CID 142471487) is (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide is C=CNC(=N\C)/C(=C/C=C\C)C(=C)C.
What is the InChIKey of (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide?
The InChIKey is BVYCNOUWHDUIMK-ZOEDNYEGSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-8-9-11(10(3)4)12(13-5)14-7-2/h6-9H,2-3H2,1,4-5H3,(H,13,14)/b8-6-,11-9+.
What are the key properties of (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide?
(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide is sourced from PubChem (CID 142471487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).