1,3-diamino-1,2-dimethylguanidine

C3H11N5 — CID 21399302

IUPAC1,3-diamino-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)N
InChIInChI=1S/C3H11N5/c1-6-3(7-4)8(2)5/h4-5H2,1-2H3,(H,6,7)
InChIKeyMZUMFCWEWUSBBW-UHFFFAOYSA-N
MW117.16 g/mol
LogP-1.76
Rot. Bonds

About 1,3-diamino-1,2-dimethylguanidine

1,3-diamino-1,2-dimethylguanidine (PubChem CID 21399302) has the molecular formula C3H11N5 and a molecular weight of 117.16 g/mol. Its IUPAC name is 1,3-diamino-1,2-dimethylguanidine.

Molecular Properties

Compound Name1,3-diamino-1,2-dimethylguanidine
PubChem CID21399302
Molecular FormulaC3H11N5
Molecular Weight117.16 g/mol
Exact Mass117.10
IUPAC Name1,3-diamino-1,2-dimethylguanidine
SMILESC/N=C(\NN)N(C)N
InChIInChI=1S/C3H11N5/c1-6-3(7-4)8(2)5/h4-5H2,1-2H3,(H,6,7)
InChIKeyMZUMFCWEWUSBBW-UHFFFAOYSA-N
XLogP-1.76
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.16
LogP ≤ 5-1.76
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1,2-dimethylguanidine?
The IUPAC name of 1,3-diamino-1,2-dimethylguanidine (CID 21399302) is 1,3-diamino-1,2-dimethylguanidine.
What is the SMILES notation for 1,3-diamino-1,2-dimethylguanidine?
The canonical SMILES for 1,3-diamino-1,2-dimethylguanidine is C/N=C(\NN)N(C)N.
What is the InChIKey of 1,3-diamino-1,2-dimethylguanidine?
The InChIKey is MZUMFCWEWUSBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N5/c1-6-3(7-4)8(2)5/h4-5H2,1-2H3,(H,6,7).
What are the key properties of 1,3-diamino-1,2-dimethylguanidine?
1,3-diamino-1,2-dimethylguanidine has a molecular weight of 117.16 g/mol, XLogP of -1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1,2-dimethylguanidine is sourced from PubChem (CID 21399302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).