1,2-dimethyl-1-(methylamino)guanidine

C4H12N4 — CID 21341300

IUPAC1,2-dimethyl-1-(methylamino)guanidine
SMILESC/N=C(\N)N(C)NC
InChIInChI=1S/C4H12N4/c1-6-4(5)8(3)7-2/h7H,1-3H3,(H2,5,6)
InChIKeyNNURSAWJMXBPNS-UHFFFAOYSA-N
MW116.17 g/mol
LogP-1.00
Rot. Bonds1

About 1,2-dimethyl-1-(methylamino)guanidine

1,2-dimethyl-1-(methylamino)guanidine (PubChem CID 21341300) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 1,2-dimethyl-1-(methylamino)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-(methylamino)guanidine
PubChem CID21341300
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name1,2-dimethyl-1-(methylamino)guanidine
SMILESC/N=C(\N)N(C)NC
InChIInChI=1S/C4H12N4/c1-6-4(5)8(3)7-2/h7H,1-3H3,(H2,5,6)
InChIKeyNNURSAWJMXBPNS-UHFFFAOYSA-N
XLogP-1.00
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-1.00
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 1,2-dimethyl-1-(methylamino)guanidine?
The IUPAC name of 1,2-dimethyl-1-(methylamino)guanidine (CID 21341300) is 1,2-dimethyl-1-(methylamino)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-(methylamino)guanidine?
The canonical SMILES for 1,2-dimethyl-1-(methylamino)guanidine is C/N=C(\N)N(C)NC.
What is the InChIKey of 1,2-dimethyl-1-(methylamino)guanidine?
The InChIKey is NNURSAWJMXBPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-6-4(5)8(3)7-2/h7H,1-3H3,(H2,5,6).
What are the key properties of 1,2-dimethyl-1-(methylamino)guanidine?
1,2-dimethyl-1-(methylamino)guanidine has a molecular weight of 116.17 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(methylamino)guanidine is sourced from PubChem (CID 21341300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).