(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide

C12H17N3 — CID 123348002

IUPAC(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
SMILESC=C=C/C=C\C(=C/C)C(=NC)/N=C(\C)N
InChIInChI=1S/C12H17N3/c1-5-7-8-9-11(6-2)12(14-4)15-10(3)13/h6-9H,1H2,2-4H3,(H2,13,14,15)/b9-8-,11-6+
InChIKeyUTVWDYLPLKJQIY-XSONURMYSA-N
MW203.29 g/mol
LogP2.24
Rot. Bonds3

About (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide

(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide (PubChem CID 123348002) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide.

Molecular Properties

Compound Name(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
PubChem CID123348002
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
SMILESC=C=C/C=C\C(=C/C)C(=NC)/N=C(\C)N
InChIInChI=1S/C12H17N3/c1-5-7-8-9-11(6-2)12(14-4)15-10(3)13/h6-9H,1H2,2-4H3,(H2,13,14,15)/b9-8-,11-6+
InChIKeyUTVWDYLPLKJQIY-XSONURMYSA-N
XLogP2.24
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.24
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

1-(1-aminoethylideneamino)ethylideneazanium;nickel(2+)
CID 175858505
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
CID 130436154
N'-methylethanimidamide;vanadium
CID 161014708
(1E)-penta-1,3,4-trien-1-ol
CID 176539684
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
4-methylhexa-2,4,5-trien-3-amine
CID 176543493
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z,5Z)-N'-methyl-2-methylidenehepta-3,5-dienimidamide
CID 145063877
N'-(1-sulfanylethenyl)ethanimidamide
CID 154550789
N'-hydroxyethanimidamide;N'-methylethanimidamide
CID 172976060
N'-[(Z)-oct-2-en-3-yl]ethanimidamide
CID 138509627

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide?
The IUPAC name of (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide (CID 123348002) is (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide.
What is the SMILES notation for (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide?
The canonical SMILES for (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide is C=C=C/C=C\C(=C/C)C(=NC)/N=C(\C)N.
What is the InChIKey of (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide?
The InChIKey is UTVWDYLPLKJQIY-XSONURMYSA-N. The full InChI is InChI=1S/C12H17N3/c1-5-7-8-9-11(6-2)12(14-4)15-10(3)13/h6-9H,1H2,2-4H3,(H2,13,14,15)/b9-8-,11-6+.
What are the key properties of (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide?
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide has a molecular weight of 203.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide is sourced from PubChem (CID 123348002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).