(1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine

C8H11N3 — CID 90210952

IUPAC(1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C)N(C=C)N=C
InChIInChI=1S/C8H11N3/c1-5-7-8(9-3)11(6-2)10-4/h5-7H,1-4H2/b8-7+
InChIKeyHQKIBBXZPSLYLA-BQYQJAHWSA-N
MW149.20 g/mol
LogP1.78
Rot. Bonds5

About (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine

(1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 90210952) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine
PubChem CID90210952
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C)N(C=C)N=C
InChIInChI=1S/C8H11N3/c1-5-7-8(9-3)11(6-2)10-4/h5-7H,1-4H2/b8-7+
InChIKeyHQKIBBXZPSLYLA-BQYQJAHWSA-N
XLogP1.78
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine (CID 90210952) is (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine is C=C/C=C(\N=C)N(C=C)N=C.
What is the InChIKey of (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is HQKIBBXZPSLYLA-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-7-8(9-3)11(6-2)10-4/h5-7H,1-4H2/b8-7+.
What are the key properties of (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine?
(1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine has a molecular weight of 149.20 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-ethenyl-N,1-bis(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 90210952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).