(2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine

C6H11N3 — CID 89371090

IUPAC(2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine
SMILESC=C/C=C(\C)N/N=N/C
InChIInChI=1S/C6H11N3/c1-4-5-6(2)8-9-7-3/h4-5H,1H2,2-3H3,(H,7,8)/b6-5+
InChIKeyJXBAJPZRUOLZOM-AATRIKPKSA-N
MW125.17 g/mol
LogP1.66
Rot. Bonds3

About (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine

(2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine (PubChem CID 89371090) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine
PubChem CID89371090
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine
SMILESC=C/C=C(\C)N/N=N/C
InChIInChI=1S/C6H11N3/c1-4-5-6(2)8-9-7-3/h4-5H,1H2,2-3H3,(H,7,8)/b6-5+
InChIKeyJXBAJPZRUOLZOM-AATRIKPKSA-N
XLogP1.66
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine (CID 89371090) is (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine is C=C/C=C(\C)N/N=N/C.
What is the InChIKey of (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine?
The InChIKey is JXBAJPZRUOLZOM-AATRIKPKSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5-6(2)8-9-7-3/h4-5H,1H2,2-3H3,(H,7,8)/b6-5+.
What are the key properties of (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine?
(2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine has a molecular weight of 125.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(methyldiazenyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 89371090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).