(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine

C11H15N3 — CID 130329270

IUPAC(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine
SMILES[H]/N=C/C(=C\N)C(/C=C\N=C)=C\C=C\C
InChIInChI=1S/C11H15N3/c1-3-4-5-10(6-7-14-2)11(8-12)9-13/h3-9,12H,2,13H2,1H3/b4-3+,7-6-,10-5-,11-9+,12-8+
InChIKeyKZYMLGHVVALSLR-PLXLLGNGSA-N
MW189.26 g/mol
LogP2.20
Rot. Bonds5

About (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine

(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine (PubChem CID 130329270) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine
PubChem CID130329270
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine
SMILES[H]/N=C/C(=C\N)C(/C=C\N=C)=C\C=C\C
InChIInChI=1S/C11H15N3/c1-3-4-5-10(6-7-14-2)11(8-12)9-13/h3-9,12H,2,13H2,1H3/b4-3+,7-6-,10-5-,11-9+,12-8+
InChIKeyKZYMLGHVVALSLR-PLXLLGNGSA-N
XLogP2.20
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine (CID 130329270) is (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine is [H]/N=C/C(=C\N)C(/C=C\N=C)=C\C=C\C.
What is the InChIKey of (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine?
The InChIKey is KZYMLGHVVALSLR-PLXLLGNGSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-4-5-10(6-7-14-2)11(8-12)9-13/h3-9,12H,2,13H2,1H3/b4-3+,7-6-,10-5-,11-9+,12-8+.
What are the key properties of (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine?
(1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E)-2-methanimidoyl-3-[(Z)-2-(methylideneamino)ethenyl]hepta-1,3,5-trien-1-amine is sourced from PubChem (CID 130329270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).