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'}

Analyze 1,2-dimethylguanidine;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine
CID 160881255
2-methyl-1-sulfanylguanidine
CID 142184997
1-(hydroxymethyl)-2-methylguanidine
CID 134159651
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
1,2-dimethylguanidine;1,3-dimethylthiourea;1,3-dimethylurea;bis(N-methylacetamide);methyl acetate;bis(methyl N-methylcarbamate);propan-2-one
CID 160789984
2-methyl-1-[tris(dimethylamino)methyl]guanidine
CID 57200602
1-(3-ethylpentan-3-yl)-2-methylguanidine
CID 65042338
2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine
CID 107645980
methanamine;1-methyl-2-nitroguanidine;2-nitroguanidine;hydrate
CID 172944229
methylamino N'-methylcarbamimidothioate
CID 174757992
1-amino-2,3-dimethylguanidine;hydrochloride
CID 14852961
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778

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).