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

C5H11N5 — CID 134458701

IUPAC3-cyano-1,2-dimethyl-1-(methylamino)guanidine
SMILESC/N=C(\NC#N)N(C)NC
InChIInChI=1S/C5H11N5/c1-7-5(9-4-6)10(3)8-2/h8H,1-3H3,(H,7,9)
InChIKeyIQEHCASBROMTEW-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.89
Rot. Bonds1

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

3-cyano-1,2-dimethyl-1-(methylamino)guanidine (PubChem CID 134458701) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 3-cyano-1,2-dimethyl-1-(methylamino)guanidine.

Molecular Properties

Compound Name3-cyano-1,2-dimethyl-1-(methylamino)guanidine
PubChem CID134458701
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name3-cyano-1,2-dimethyl-1-(methylamino)guanidine
SMILESC/N=C(\NC#N)N(C)NC
InChIInChI=1S/C5H11N5/c1-7-5(9-4-6)10(3)8-2/h8H,1-3H3,(H,7,9)
InChIKeyIQEHCASBROMTEW-UHFFFAOYSA-N
XLogP-0.89
TPSA63.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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-cyano-1,2-dimethyl-1-(methylamino)guanidine?
The IUPAC name of 3-cyano-1,2-dimethyl-1-(methylamino)guanidine (CID 134458701) is 3-cyano-1,2-dimethyl-1-(methylamino)guanidine.
What is the SMILES notation for 3-cyano-1,2-dimethyl-1-(methylamino)guanidine?
The canonical SMILES for 3-cyano-1,2-dimethyl-1-(methylamino)guanidine is C/N=C(\NC#N)N(C)NC.
What is the InChIKey of 3-cyano-1,2-dimethyl-1-(methylamino)guanidine?
The InChIKey is IQEHCASBROMTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-7-5(9-4-6)10(3)8-2/h8H,1-3H3,(H,7,9).
What are the key properties of 3-cyano-1,2-dimethyl-1-(methylamino)guanidine?
3-cyano-1,2-dimethyl-1-(methylamino)guanidine has a molecular weight of 141.18 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1,2-dimethyl-1-(methylamino)guanidine is sourced from PubChem (CID 134458701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).