[(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium

C7H12N5+ — CID 146762333

IUPAC[(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium
SMILESC#[N+]/C(C)=C(/N=C/N)C(\N)=N\C
InChIInChI=1S/C7H12N5/c1-5(10-2)6(12-4-8)7(9)11-3/h2,4H,1,3H3,(H2,8,12)(H2,9,11)/q+1/b6-5+
InChIKeyBGNOPEJENYTEQP-AATRIKPKSA-N
MW166.21 g/mol
LogP0.15
Rot. Bonds2

About [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium

[(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium (PubChem CID 146762333) has the molecular formula C7H12N5+ and a molecular weight of 166.21 g/mol. Its IUPAC name is [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium.

Molecular Properties

Compound Name[(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium
PubChem CID146762333
Molecular FormulaC7H12N5+
Molecular Weight166.21 g/mol
Exact Mass166.11
IUPAC Name[(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium
SMILESC#[N+]/C(C)=C(/N=C/N)C(\N)=N\C
InChIInChI=1S/C7H12N5/c1-5(10-2)6(12-4-8)7(9)11-3/h2,4H,1,3H3,(H2,8,12)(H2,9,11)/q+1/b6-5+
InChIKeyBGNOPEJENYTEQP-AATRIKPKSA-N
XLogP0.15
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium?
The IUPAC name of [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium (CID 146762333) is [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium.
What is the SMILES notation for [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium?
The canonical SMILES for [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium is C#[N+]/C(C)=C(/N=C/N)C(\N)=N\C.
What is the InChIKey of [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium?
The InChIKey is BGNOPEJENYTEQP-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12N5/c1-5(10-2)6(12-4-8)7(9)11-3/h2,4H,1,3H3,(H2,8,12)(H2,9,11)/q+1/b6-5+.
What are the key properties of [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium?
[(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium has a molecular weight of 166.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-amino-3-(aminomethylideneamino)-4-methyliminobut-2-en-2-yl]-methylidyneazanium is sourced from PubChem (CID 146762333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).