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

C4H13N5 — CID 138462161

IUPAC3-amino-1,2-dimethyl-1-(methylamino)guanidine
SMILESC/N=C(\NN)N(C)NC
InChIInChI=1S/C4H13N5/c1-6-4(8-5)9(3)7-2/h7H,5H2,1-3H3,(H,6,8)
InChIKeyTZCPYOZEMSNEED-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.50
Rot. Bonds1

About 3-amino-1,2-dimethyl-1-(methylamino)guanidine

3-amino-1,2-dimethyl-1-(methylamino)guanidine (PubChem CID 138462161) has the molecular formula C4H13N5 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-amino-1,2-dimethyl-1-(methylamino)guanidine.

Molecular Properties

Compound Name3-amino-1,2-dimethyl-1-(methylamino)guanidine
PubChem CID138462161
Molecular FormulaC4H13N5
Molecular Weight131.18 g/mol
Exact Mass131.12
IUPAC Name3-amino-1,2-dimethyl-1-(methylamino)guanidine
SMILESC/N=C(\NN)N(C)NC
InChIInChI=1S/C4H13N5/c1-6-4(8-5)9(3)7-2/h7H,5H2,1-3H3,(H,6,8)
InChIKeyTZCPYOZEMSNEED-UHFFFAOYSA-N
XLogP-1.50
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 3-amino-1,2-dimethyl-1-(methylamino)guanidine?
The IUPAC name of 3-amino-1,2-dimethyl-1-(methylamino)guanidine (CID 138462161) is 3-amino-1,2-dimethyl-1-(methylamino)guanidine.
What is the SMILES notation for 3-amino-1,2-dimethyl-1-(methylamino)guanidine?
The canonical SMILES for 3-amino-1,2-dimethyl-1-(methylamino)guanidine is C/N=C(\NN)N(C)NC.
What is the InChIKey of 3-amino-1,2-dimethyl-1-(methylamino)guanidine?
The InChIKey is TZCPYOZEMSNEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N5/c1-6-4(8-5)9(3)7-2/h7H,5H2,1-3H3,(H,6,8).
What are the key properties of 3-amino-1,2-dimethyl-1-(methylamino)guanidine?
3-amino-1,2-dimethyl-1-(methylamino)guanidine has a molecular weight of 131.18 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,2-dimethyl-1-(methylamino)guanidine is sourced from PubChem (CID 138462161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).