N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide

C12H21N3 — CID 155728462

IUPACN'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide
SMILESCC/C=C(/C=C\C(C)=N\C)C/N=C(\C)N
InChIInChI=1S/C12H21N3/c1-5-6-12(9-15-11(3)13)8-7-10(2)14-4/h6-8H,5,9H2,1-4H3,(H2,13,15)/b8-7-,12-6-,14-10+
InChIKeyAXUSDVHQNJMOJE-MLSDAXRQSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds5

About N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide

N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide (PubChem CID 155728462) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide
PubChem CID155728462
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide
SMILESCC/C=C(/C=C\C(C)=N\C)C/N=C(\C)N
InChIInChI=1S/C12H21N3/c1-5-6-12(9-15-11(3)13)8-7-10(2)14-4/h6-8H,5,9H2,1-4H3,(H2,13,15)/b8-7-,12-6-,14-10+
InChIKeyAXUSDVHQNJMOJE-MLSDAXRQSA-N
XLogP2.35
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-3-[[(3Z,5E)-5-fluorohepta-3,5-dien-2-ylidene]amino]-2-methylprop-2-enimidamide
CID 144208258
N'-[(2Z,3Z,5E)-5-fluoro-3-methyl-2-propylidenehepta-3,5-dienyl]ethanimidamide
CID 155728810
N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide
CID 155728900
2,6-dimethyl-2H-azepin-7-amine
CID 57119104
3-methylidene-2H-pyridin-6-amine
CID 67442857
7,7-Dimethylazepin-2-amine
CID 67756668
7-Methyl-6,7-dihydro-1,8-naphthyridin-2-amine
CID 89038587
(Z)-N'-[(1Z)-hexa-1,3-dienyl]but-2-enimidamide
CID 91013982
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
N',4-dimethylpenta-2,4-dienimidamide
CID 123250461
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
(2E,4E)-6-chloro-N',3,4-trimethylocta-2,4,6-trienimidamide
CID 123364710

Frequently Asked Questions

What is the IUPAC name of N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide?
The IUPAC name of N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide (CID 155728462) is N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide is CC/C=C(/C=C\C(C)=N\C)C/N=C(\C)N.
What is the InChIKey of N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide?
The InChIKey is AXUSDVHQNJMOJE-MLSDAXRQSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-12(9-15-11(3)13)8-7-10(2)14-4/h6-8H,5,9H2,1-4H3,(H2,13,15)/b8-7-,12-6-,14-10+.
What are the key properties of N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide?
N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide has a molecular weight of 207.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z,2Z)-5-methylimino-2-propylidenehex-3-enyl]ethanimidamide is sourced from PubChem (CID 155728462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).