(1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine

C8H10N2 — CID 89089063

IUPAC(1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C(=C\C=C/N)C1=NC1
InChIInChI=1S/C8H10N2/c1-2-7(4-3-5-9)8-6-10-8/h2-5H,1,6,9H2/b5-3-,7-4+
InChIKeyHZPIMCHIYQAZNX-XKSOLRDRSA-N
MW134.18 g/mol
LogP1.03
Rot. Bonds3

About (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine

(1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine (PubChem CID 89089063) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine
PubChem CID89089063
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine
SMILESC=C/C(=C\C=C/N)C1=NC1
InChIInChI=1S/C8H10N2/c1-2-7(4-3-5-9)8-6-10-8/h2-5H,1,6,9H2/b5-3-,7-4+
InChIKeyHZPIMCHIYQAZNX-XKSOLRDRSA-N
XLogP1.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine (CID 89089063) is (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine is C=C/C(=C\C=C/N)C1=NC1.
What is the InChIKey of (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is HZPIMCHIYQAZNX-XKSOLRDRSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7(4-3-5-9)8-6-10-8/h2-5H,1,6,9H2/b5-3-,7-4+.
What are the key properties of (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine?
(1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 134.18 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-(2H-azirin-3-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89089063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).