(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine

C7H11N3 — CID 90210922

IUPAC(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C)N/N=C\C
InChIInChI=1S/C7H11N3/c1-4-6-7(8-3)10-9-5-2/h4-6,10H,1,3H2,2H3/b7-6+,9-5-
InChIKeyOBNKKFMOYJOGDC-MTNQHGNXSA-N
MW137.19 g/mol
LogP1.31
Rot. Bonds4

About (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine

(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine (PubChem CID 90210922) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine
PubChem CID90210922
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine
SMILESC=C/C=C(\N=C)N/N=C\C
InChIInChI=1S/C7H11N3/c1-4-6-7(8-3)10-9-5-2/h4-6,10H,1,3H2,2H3/b7-6+,9-5-
InChIKeyOBNKKFMOYJOGDC-MTNQHGNXSA-N
XLogP1.31
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
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-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine (CID 90210922) is (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine is C=C/C=C(\N=C)N/N=C\C.
What is the InChIKey of (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine?
The InChIKey is OBNKKFMOYJOGDC-MTNQHGNXSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-6-7(8-3)10-9-5-2/h4-6,10H,1,3H2,2H3/b7-6+,9-5-.
What are the key properties of (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine?
(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine has a molecular weight of 137.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine is sourced from PubChem (CID 90210922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).