(2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine

C9H15N3 — CID 89324957

IUPAC(2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine
SMILESC=C/C=C\C=C(/N)CNC(=C)N
InChIInChI=1S/C9H15N3/c1-3-4-5-6-9(11)7-12-8(2)10/h3-6,12H,1-2,7,10-11H2/b5-4-,9-6-
InChIKeyOUKSJQPINQRAOY-WXOLFVLTSA-N
MW165.24 g/mol
LogP0.59
Rot. Bonds5

About (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine

(2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine (PubChem CID 89324957) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine.

Molecular Properties

Compound Name(2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine
PubChem CID89324957
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine
SMILESC=C/C=C\C=C(/N)CNC(=C)N
InChIInChI=1S/C9H15N3/c1-3-4-5-6-9(11)7-12-8(2)10/h3-6,12H,1-2,7,10-11H2/b5-4-,9-6-
InChIKeyOUKSJQPINQRAOY-WXOLFVLTSA-N
XLogP0.59
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine?
The IUPAC name of (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine (CID 89324957) is (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine.
What is the SMILES notation for (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine?
The canonical SMILES for (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine is C=C/C=C\C=C(/N)CNC(=C)N.
What is the InChIKey of (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine?
The InChIKey is OUKSJQPINQRAOY-WXOLFVLTSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-5-6-9(11)7-12-8(2)10/h3-6,12H,1-2,7,10-11H2/b5-4-,9-6-.
What are the key properties of (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine?
(2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-N-(1-aminoethenyl)hepta-2,4,6-triene-1,2-diamine is sourced from PubChem (CID 89324957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).