(2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane

C12H21N3 — CID 143470292

IUPAC(2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane
SMILESCC.[H]/N=C(\N=C(/C)N)C(/C=C\C=C)=C/C
InChIInChI=1S/C10H15N3.C2H6/c1-4-6-7-9(5-2)10(12)13-8(3)11;1-2/h4-7H,1H2,2-3H3,(H3,11,12,13);1-2H3/b7-6-,9-5+;
InChIKeyMXLHKFZDSBIKEP-YVCPEMMASA-N
MW207.32 g/mol
LogP3.06
Rot. Bonds3

About (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane

(2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane (PubChem CID 143470292) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane.

Molecular Properties

Compound Name(2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane
PubChem CID143470292
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane
SMILESCC.[H]/N=C(\N=C(/C)N)C(/C=C\C=C)=C/C
InChIInChI=1S/C10H15N3.C2H6/c1-4-6-7-9(5-2)10(12)13-8(3)11;1-2/h4-7H,1H2,2-3H3,(H3,11,12,13);1-2H3/b7-6-,9-5+;
InChIKeyMXLHKFZDSBIKEP-YVCPEMMASA-N
XLogP3.06
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
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

(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
CID 144000610
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
7,7-Dimethylazepin-2-amine
CID 67756668
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
(2E,3Z)-2-ethylidenehexa-3,5-dienimidamide
CID 117660284
(2Z,4Z)-4-methylhexa-2,4-dienimidamide
CID 118219398
N-[(2E,4Z)-1-amino-2-methylhepta-2,4,6-trienylidene]cyclopenta-1,2,4-triene-1-carboximidamide
CID 118641902
N'-[(2E,4Z)-hepta-2,4,6-trienimidoyl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienylidene]cyclopenta-1,3,4-triene-1-carboximidamide
CID 118642053
(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 118642057
N'-methanimidoyl-2,4-dimethylpenta-2,4-dienimidamide
CID 123140467
(4E)-2,5-dimethylhepta-2,4-dienimidamide
CID 123195726
N',4-dimethylpenta-2,4-dienimidamide
CID 123250461

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane?
The IUPAC name of (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane (CID 143470292) is (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane.
What is the SMILES notation for (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane?
The canonical SMILES for (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane is CC.[H]/N=C(\N=C(/C)N)C(/C=C\C=C)=C/C.
What is the InChIKey of (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane?
The InChIKey is MXLHKFZDSBIKEP-YVCPEMMASA-N. The full InChI is InChI=1S/C10H15N3.C2H6/c1-4-6-7-9(5-2)10(12)13-8(3)11;1-2/h4-7H,1H2,2-3H3,(H3,11,12,13);1-2H3/b7-6-,9-5+;.
What are the key properties of (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane?
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane has a molecular weight of 207.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-(1-aminoethylidene)-2-ethylidenehexa-3,5-dienimidamide;ethane is sourced from PubChem (CID 143470292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).