1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine

C7H20N8 — CID 160881255

IUPAC1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(\N)N/C(N)=N/C.C/N=C(\N)NC
InChIInChI=1S/C4H11N5.C3H9N3/c1-7-3(5)9-4(6)8-2;1-5-3(4)6-2/h1-2H3,(H5,5,6,7,8,9);1-2H3,(H3,4,5,6)
InChIKeySNBCZKSQKZEXTA-UHFFFAOYSA-N
MW216.29 g/mol
LogP-2.38
Rot. Bonds

About 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine

1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine (PubChem CID 160881255) has the molecular formula C7H20N8 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine
PubChem CID160881255
Molecular FormulaC7H20N8
Molecular Weight216.29 g/mol
Exact Mass216.18
IUPAC Name1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(\N)N/C(N)=N/C.C/N=C(\N)NC
InChIInChI=1S/C4H11N5.C3H9N3/c1-7-3(5)9-4(6)8-2;1-5-3(4)6-2/h1-2H3,(H5,5,6,7,8,9);1-2H3,(H3,4,5,6)
InChIKeySNBCZKSQKZEXTA-UHFFFAOYSA-N
XLogP-2.38
TPSA139.20 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 5-2.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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;2-methyl-1-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine (CID 160881255) is 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine is C/N=C(\N)N/C(N)=N/C.C/N=C(\N)NC.
What is the InChIKey of 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is SNBCZKSQKZEXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5.C3H9N3/c1-7-3(5)9-4(6)8-2;1-5-3(4)6-2/h1-2H3,(H5,5,6,7,8,9);1-2H3,(H3,4,5,6).
What are the key properties of 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine?
1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 216.29 g/mol, XLogP of -2.38, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylguanidine;2-methyl-1-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 160881255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).