5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine

C10H16N2 — CID 166876717

IUPAC5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine
SMILES[H]/N=C/C(CCCN)=C(C=C)C=C
InChIInChI=1S/C10H16N2/c1-3-9(4-2)10(8-12)6-5-7-11/h3-4,8,12H,1-2,5-7,11H2/b12-8+
InChIKeyCWSNFMKSSGTLRJ-XYOKQWHBSA-N
MW164.25 g/mol
LogP2.04
Rot. Bonds6

About 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine

5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine (PubChem CID 166876717) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine.

Molecular Properties

Compound Name5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine
PubChem CID166876717
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine
SMILES[H]/N=C/C(CCCN)=C(C=C)C=C
InChIInChI=1S/C10H16N2/c1-3-9(4-2)10(8-12)6-5-7-11/h3-4,8,12H,1-2,5-7,11H2/b12-8+
InChIKeyCWSNFMKSSGTLRJ-XYOKQWHBSA-N
XLogP2.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine?
The IUPAC name of 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine (CID 166876717) is 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine.
What is the SMILES notation for 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine?
The canonical SMILES for 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine is [H]/N=C/C(CCCN)=C(C=C)C=C.
What is the InChIKey of 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine?
The InChIKey is CWSNFMKSSGTLRJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-9(4-2)10(8-12)6-5-7-11/h3-4,8,12H,1-2,5-7,11H2/b12-8+.
What are the key properties of 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine?
5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methanimidoylhepta-4,6-dien-1-amine is sourced from PubChem (CID 166876717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).