1-[(E)-ethylideneamino]-2-methylguanidine

C4H10N4 — CID 89059962

IUPAC1-[(E)-ethylideneamino]-2-methylguanidine
SMILESC/C=N/N/C(N)=N/C
InChIInChI=1S/C4H10N4/c1-3-7-8-4(5)6-2/h3H,1-2H3,(H3,5,6,8)/b7-3+
InChIKeyAJVRBQSRETZJCK-XVNBXDOJSA-N
MW114.15 g/mol
LogP-0.47
Rot. Bonds1

About 1-[(E)-ethylideneamino]-2-methylguanidine

1-[(E)-ethylideneamino]-2-methylguanidine (PubChem CID 89059962) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-[(E)-ethylideneamino]-2-methylguanidine.

Molecular Properties

Compound Name1-[(E)-ethylideneamino]-2-methylguanidine
PubChem CID89059962
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name1-[(E)-ethylideneamino]-2-methylguanidine
SMILESC/C=N/N/C(N)=N/C
InChIInChI=1S/C4H10N4/c1-3-7-8-4(5)6-2/h3H,1-2H3,(H3,5,6,8)/b7-3+
InChIKeyAJVRBQSRETZJCK-XVNBXDOJSA-N
XLogP-0.47
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.47
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-ethylideneamino]-2-methylguanidine?
The IUPAC name of 1-[(E)-ethylideneamino]-2-methylguanidine (CID 89059962) is 1-[(E)-ethylideneamino]-2-methylguanidine.
What is the SMILES notation for 1-[(E)-ethylideneamino]-2-methylguanidine?
The canonical SMILES for 1-[(E)-ethylideneamino]-2-methylguanidine is C/C=N/N/C(N)=N/C.
What is the InChIKey of 1-[(E)-ethylideneamino]-2-methylguanidine?
The InChIKey is AJVRBQSRETZJCK-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H10N4/c1-3-7-8-4(5)6-2/h3H,1-2H3,(H3,5,6,8)/b7-3+.
What are the key properties of 1-[(E)-ethylideneamino]-2-methylguanidine?
1-[(E)-ethylideneamino]-2-methylguanidine has a molecular weight of 114.15 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-ethylideneamino]-2-methylguanidine is sourced from PubChem (CID 89059962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).