(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide

C8H14N4 — CID 88944307

IUPAC(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide
SMILESC=C/N=C(NC=C)/C(N)=C(/C)N
InChIInChI=1S/C8H14N4/c1-4-11-8(12-5-2)7(10)6(3)9/h4-5H,1-2,9-10H2,3H3,(H,11,12)/b7-6+
InChIKeyKUTLYQMVNNOGNR-VOTSOKGWSA-N
MW166.23 g/mol
LogP0.41
Rot. Bonds3

About (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide

(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide (PubChem CID 88944307) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide.

Molecular Properties

Compound Name(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide
PubChem CID88944307
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide
SMILESC=C/N=C(NC=C)/C(N)=C(/C)N
InChIInChI=1S/C8H14N4/c1-4-11-8(12-5-2)7(10)6(3)9/h4-5H,1-2,9-10H2,3H3,(H,11,12)/b7-6+
InChIKeyKUTLYQMVNNOGNR-VOTSOKGWSA-N
XLogP0.41
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide?
The IUPAC name of (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide (CID 88944307) is (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide.
What is the SMILES notation for (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide?
The canonical SMILES for (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide is C=C/N=C(NC=C)/C(N)=C(/C)N.
What is the InChIKey of (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide?
The InChIKey is KUTLYQMVNNOGNR-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-11-8(12-5-2)7(10)6(3)9/h4-5H,1-2,9-10H2,3H3,(H,11,12)/b7-6+.
What are the key properties of (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide?
(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide has a molecular weight of 166.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide is sourced from PubChem (CID 88944307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).