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

C3H11ClN4O — CID 173362671

IUPAC2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride
SMILESCN(C)C(=NN)NO.Cl
InChIInChI=1S/C3H10N4O.ClH/c1-7(2)3(5-4)6-8;/h8H,4H2,1-2H3,(H,5,6);1H
InChIKeyNPSCFRRPKGGFFZ-UHFFFAOYSA-N
MW154.60 g/mol
LogP-0.82
Rot. Bonds

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

2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride (PubChem CID 173362671) has the molecular formula C3H11ClN4O and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride.

Molecular Properties

Compound Name2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride
PubChem CID173362671
Molecular FormulaC3H11ClN4O
Molecular Weight154.60 g/mol
Exact Mass154.06
IUPAC Name2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride
SMILESCN(C)C(=NN)NO.Cl
InChIInChI=1S/C3H10N4O.ClH/c1-7(2)3(5-4)6-8;/h8H,4H2,1-2H3,(H,5,6);1H
InChIKeyNPSCFRRPKGGFFZ-UHFFFAOYSA-N
XLogP-0.82
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 5-0.82
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

copper;1,1,2,3-tetramethylguanidine;hydrochloride
CID 175414333
3-hydroxy-1,1-dimethyl-2-(4-methylpentyl)guanidine
CID 170098018
2,3-dichloro-1,1-dimethylguanidine
CID 175030933
guanidine;1,1,2,3-tetramethylguanidine
CID 155384700
(N,N,N'-trimethylcarbamimidoyl)urea
CID 163885409
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
1,1-dimethylhydrazine
CID 5976
1,1-dimethyl-3-methylsulfonyl-2-propan-2-ylguanidine
CID 176869640
2-(hydroxyamino)-N,N-dimethyl-2-methyliminoacetamide
CID 144893888
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-[(1R,2R)-2-hydroxycyclohexyl]-1,1,2-trimethylguanidine
CID 170056778
calcium;1,1,2,3-tetramethylguanidine;carbonate
CID 87562233

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride?
The IUPAC name of 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride (CID 173362671) is 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride.
What is the SMILES notation for 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride?
The canonical SMILES for 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride is CN(C)C(=NN)NO.Cl.
What is the InChIKey of 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride?
The InChIKey is NPSCFRRPKGGFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O.ClH/c1-7(2)3(5-4)6-8;/h8H,4H2,1-2H3,(H,5,6);1H.
What are the key properties of 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride?
2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride has a molecular weight of 154.60 g/mol, XLogP of -0.82, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-1,1-dimethylguanidine;hydrochloride is sourced from PubChem (CID 173362671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).