2-methyl-1-(methylamino)-3-methylideneguanidine

C4H10N4 — CID 134313977

IUPAC2-methyl-1-(methylamino)-3-methylideneguanidine
SMILESC=N/C(=N\C)NNC
InChIInChI=1S/C4H10N4/c1-5-4(6-2)8-7-3/h7H,1H2,2-3H3,(H,6,8)
InChIKeyJVWAQEKQULIXCY-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.60
Rot. Bonds1

About 2-methyl-1-(methylamino)-3-methylideneguanidine

2-methyl-1-(methylamino)-3-methylideneguanidine (PubChem CID 134313977) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)-3-methylideneguanidine.

Molecular Properties

Compound Name2-methyl-1-(methylamino)-3-methylideneguanidine
PubChem CID134313977
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name2-methyl-1-(methylamino)-3-methylideneguanidine
SMILESC=N/C(=N\C)NNC
InChIInChI=1S/C4H10N4/c1-5-4(6-2)8-7-3/h7H,1H2,2-3H3,(H,6,8)
InChIKeyJVWAQEKQULIXCY-UHFFFAOYSA-N
XLogP-0.60
TPSA48.78 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 ≤ 5-0.60
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-(methylamino)-3-methylideneguanidine?
The IUPAC name of 2-methyl-1-(methylamino)-3-methylideneguanidine (CID 134313977) is 2-methyl-1-(methylamino)-3-methylideneguanidine.
What is the SMILES notation for 2-methyl-1-(methylamino)-3-methylideneguanidine?
The canonical SMILES for 2-methyl-1-(methylamino)-3-methylideneguanidine is C=N/C(=N\C)NNC.
What is the InChIKey of 2-methyl-1-(methylamino)-3-methylideneguanidine?
The InChIKey is JVWAQEKQULIXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c1-5-4(6-2)8-7-3/h7H,1H2,2-3H3,(H,6,8).
What are the key properties of 2-methyl-1-(methylamino)-3-methylideneguanidine?
2-methyl-1-(methylamino)-3-methylideneguanidine has a molecular weight of 114.15 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)-3-methylideneguanidine is sourced from PubChem (CID 134313977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).