1-amino-2,3-dimethylguanidine;hydrochloride

C3H11ClN4 — CID 14852961

IUPAC1-amino-2,3-dimethylguanidine;hydrochloride
SMILESC/N=C(\NC)NN.Cl
InChIInChI=1S/C3H10N4.ClH/c1-5-3(6-2)7-4;/h4H2,1-2H3,(H2,5,6,7);1H
InChIKeyXNJFRYJSEUIZHA-UHFFFAOYSA-N
MW138.60 g/mol
LogP-0.92
Rot. Bonds

About 1-amino-2,3-dimethylguanidine;hydrochloride

1-amino-2,3-dimethylguanidine;hydrochloride (PubChem CID 14852961) has the molecular formula C3H11ClN4 and a molecular weight of 138.60 g/mol. Its IUPAC name is 1-amino-2,3-dimethylguanidine;hydrochloride.

Molecular Properties

Compound Name1-amino-2,3-dimethylguanidine;hydrochloride
PubChem CID14852961
Molecular FormulaC3H11ClN4
Molecular Weight138.60 g/mol
Exact Mass138.07
IUPAC Name1-amino-2,3-dimethylguanidine;hydrochloride
SMILESC/N=C(\NC)NN.Cl
InChIInChI=1S/C3H10N4.ClH/c1-5-3(6-2)7-4;/h4H2,1-2H3,(H2,5,6,7);1H
InChIKeyXNJFRYJSEUIZHA-UHFFFAOYSA-N
XLogP-0.92
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.60
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dimethylguanidine;hydrochloride?
The IUPAC name of 1-amino-2,3-dimethylguanidine;hydrochloride (CID 14852961) is 1-amino-2,3-dimethylguanidine;hydrochloride.
What is the SMILES notation for 1-amino-2,3-dimethylguanidine;hydrochloride?
The canonical SMILES for 1-amino-2,3-dimethylguanidine;hydrochloride is C/N=C(\NC)NN.Cl.
What is the InChIKey of 1-amino-2,3-dimethylguanidine;hydrochloride?
The InChIKey is XNJFRYJSEUIZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4.ClH/c1-5-3(6-2)7-4;/h4H2,1-2H3,(H2,5,6,7);1H.
What are the key properties of 1-amino-2,3-dimethylguanidine;hydrochloride?
1-amino-2,3-dimethylguanidine;hydrochloride has a molecular weight of 138.60 g/mol, XLogP of -0.92, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dimethylguanidine;hydrochloride is sourced from PubChem (CID 14852961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).