1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine

C8H12N4 — CID 139389891

IUPAC1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine
SMILESC=C(N)c1ncn(C)c1/N=C\C
InChIInChI=1S/C8H12N4/c1-4-10-8-7(6(2)9)11-5-12(8)3/h4-5H,2,9H2,1,3H3/b10-4-
InChIKeyWJAHXJKUCVLOJC-WMZJFQQLSA-N
MW164.21 g/mol
LogP1.07
Rot. Bonds2

About 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine

1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine (PubChem CID 139389891) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine.

Molecular Properties

Compound Name1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine
PubChem CID139389891
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine
SMILESC=C(N)c1ncn(C)c1/N=C\C
InChIInChI=1S/C8H12N4/c1-4-10-8-7(6(2)9)11-5-12(8)3/h4-5H,2,9H2,1,3H3/b10-4-
InChIKeyWJAHXJKUCVLOJC-WMZJFQQLSA-N
XLogP1.07
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine?
The IUPAC name of 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine (CID 139389891) is 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine.
What is the SMILES notation for 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine?
The canonical SMILES for 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine is C=C(N)c1ncn(C)c1/N=C\C.
What is the InChIKey of 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine?
The InChIKey is WJAHXJKUCVLOJC-WMZJFQQLSA-N. The full InChI is InChI=1S/C8H12N4/c1-4-10-8-7(6(2)9)11-5-12(8)3/h4-5H,2,9H2,1,3H3/b10-4-.
What are the key properties of 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine?
1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine has a molecular weight of 164.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-ethylideneamino]-1-methylimidazol-4-yl]ethenamine is sourced from PubChem (CID 139389891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).