2-methyl-1-(methylideneamino)guanidine

C3H8N4 — CID 59756674

IUPAC2-methyl-1-(methylideneamino)guanidine
SMILESC=NN/C(N)=N/C
InChIInChI=1S/C3H8N4/c1-5-3(4)7-6-2/h2H2,1H3,(H3,4,5,7)
InChIKeyQPADXYFHJYCILH-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.86
Rot. Bonds1

About 2-methyl-1-(methylideneamino)guanidine

2-methyl-1-(methylideneamino)guanidine (PubChem CID 59756674) has the molecular formula C3H8N4 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2-methyl-1-(methylideneamino)guanidine.

Molecular Properties

Compound Name2-methyl-1-(methylideneamino)guanidine
PubChem CID59756674
Molecular FormulaC3H8N4
Molecular Weight100.12 g/mol
Exact Mass100.07
IUPAC Name2-methyl-1-(methylideneamino)guanidine
SMILESC=NN/C(N)=N/C
InChIInChI=1S/C3H8N4/c1-5-3(4)7-6-2/h2H2,1H3,(H3,4,5,7)
InChIKeyQPADXYFHJYCILH-UHFFFAOYSA-N
XLogP-0.86
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.86
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 2-methyl-1-(methylideneamino)guanidine?
The IUPAC name of 2-methyl-1-(methylideneamino)guanidine (CID 59756674) is 2-methyl-1-(methylideneamino)guanidine.
What is the SMILES notation for 2-methyl-1-(methylideneamino)guanidine?
The canonical SMILES for 2-methyl-1-(methylideneamino)guanidine is C=NN/C(N)=N/C.
What is the InChIKey of 2-methyl-1-(methylideneamino)guanidine?
The InChIKey is QPADXYFHJYCILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4/c1-5-3(4)7-6-2/h2H2,1H3,(H3,4,5,7).
What are the key properties of 2-methyl-1-(methylideneamino)guanidine?
2-methyl-1-(methylideneamino)guanidine has a molecular weight of 100.12 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylideneamino)guanidine is sourced from PubChem (CID 59756674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).