(E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide

C6H13N5 — CID 137148896

IUPAC(E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide
SMILES[H]/N=C(N)/C(N)=C(C)\N=C(/C)N
InChIInChI=1S/C6H13N5/c1-3(11-4(2)7)5(8)6(9)10/h8H2,1-2H3,(H2,7,11)(H3,9,10)/b5-3+
InChIKeyWBSBISWOPKOPSP-HWKANZROSA-N
MW155.20 g/mol
LogP-0.51
Rot. Bonds2

About (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide

(E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide (PubChem CID 137148896) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide.

Molecular Properties

Compound Name(E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide
PubChem CID137148896
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name(E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide
SMILES[H]/N=C(N)/C(N)=C(C)\N=C(/C)N
InChIInChI=1S/C6H13N5/c1-3(11-4(2)7)5(8)6(9)10/h8H2,1-2H3,(H2,7,11)(H3,9,10)/b5-3+
InChIKeyWBSBISWOPKOPSP-HWKANZROSA-N
XLogP-0.51
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide 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)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide?
The IUPAC name of (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide (CID 137148896) is (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide.
What is the SMILES notation for (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide?
The canonical SMILES for (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide is [H]/N=C(N)/C(N)=C(C)\N=C(/C)N.
What is the InChIKey of (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide?
The InChIKey is WBSBISWOPKOPSP-HWKANZROSA-N. The full InChI is InChI=1S/C6H13N5/c1-3(11-4(2)7)5(8)6(9)10/h8H2,1-2H3,(H2,7,11)(H3,9,10)/b5-3+.
What are the key properties of (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide?
(E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide has a molecular weight of 155.20 g/mol, XLogP of -0.51, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-3-(1-aminoethylideneamino)but-2-enimidamide is sourced from PubChem (CID 137148896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).