1,2-dimethylguanidine;methanamine

C4H14N4 — CID 159210195

IUPAC1,2-dimethylguanidine;methanamine
SMILESC/N=C(\N)NC.CN
InChIInChI=1S/C3H9N3.CH5N/c1-5-3(4)6-2;1-2/h1-2H3,(H3,4,5,6);2H2,1H3
InChIKeyKQKAGQCEQNUJNX-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.27
Rot. Bonds

About 1,2-dimethylguanidine;methanamine

1,2-dimethylguanidine;methanamine (PubChem CID 159210195) has the molecular formula C4H14N4 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1,2-dimethylguanidine;methanamine.

Molecular Properties

Compound Name1,2-dimethylguanidine;methanamine
PubChem CID159210195
Molecular FormulaC4H14N4
Molecular Weight118.18 g/mol
Exact Mass118.12
IUPAC Name1,2-dimethylguanidine;methanamine
SMILESC/N=C(\N)NC.CN
InChIInChI=1S/C3H9N3.CH5N/c1-5-3(4)6-2;1-2/h1-2H3,(H3,4,5,6);2H2,1H3
InChIKeyKQKAGQCEQNUJNX-UHFFFAOYSA-N
XLogP-1.27
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylguanidine;methanamine?
The IUPAC name of 1,2-dimethylguanidine;methanamine (CID 159210195) is 1,2-dimethylguanidine;methanamine.
What is the SMILES notation for 1,2-dimethylguanidine;methanamine?
The canonical SMILES for 1,2-dimethylguanidine;methanamine is C/N=C(\N)NC.CN.
What is the InChIKey of 1,2-dimethylguanidine;methanamine?
The InChIKey is KQKAGQCEQNUJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.CH5N/c1-5-3(4)6-2;1-2/h1-2H3,(H3,4,5,6);2H2,1H3.
What are the key properties of 1,2-dimethylguanidine;methanamine?
1,2-dimethylguanidine;methanamine has a molecular weight of 118.18 g/mol, XLogP of -1.27, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylguanidine;methanamine is sourced from PubChem (CID 159210195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).