1-amino-1-ethoxyguanidine;hydrochloride

C3H11ClN4O — CID 158987183

IUPAC1-amino-1-ethoxyguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(N)OCC
InChIInChI=1S/C3H10N4O.ClH/c1-2-8-7(6)3(4)5;/h2,6H2,1H3,(H3,4,5);1H
InChIKeyBNPLCVOXDHKCNU-UHFFFAOYSA-N
MW154.60 g/mol
LogP-0.57
Rot. Bonds2

About 1-amino-1-ethoxyguanidine;hydrochloride

1-amino-1-ethoxyguanidine;hydrochloride (PubChem CID 158987183) has the molecular formula C3H11ClN4O and a molecular weight of 154.60 g/mol. Its IUPAC name is 1-amino-1-ethoxyguanidine;hydrochloride.

Molecular Properties

Compound Name1-amino-1-ethoxyguanidine;hydrochloride
PubChem CID158987183
Molecular FormulaC3H11ClN4O
Molecular Weight154.60 g/mol
Exact Mass154.06
IUPAC Name1-amino-1-ethoxyguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(N)OCC
InChIInChI=1S/C3H10N4O.ClH/c1-2-8-7(6)3(4)5;/h2,6H2,1H3,(H3,4,5);1H
InChIKeyBNPLCVOXDHKCNU-UHFFFAOYSA-N
XLogP-0.57
TPSA88.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 5-0.57
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

1-amino-1-[2-[amino(carbamimidoyl)amino]ethyl]guanidine;dihydrochloride
CID 173440460
1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
CID 87621187
1-(2,2-dihydroxyethyl)-1-ethylguanidine
CID 20660155
acetic acid;1-amino-1-ethylguanidine
CID 174864621
1,1-bis(methoxymethyl)guanidine
CID 59912827
ethyl 2-amino-2-iminoacetate
CID 19017716
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 87620124
1-amino-1-heptadecylguanidine
CID 141113274
1-amino-1-dodecylguanidine
CID 141286246
1,1-diethoxyhydrazine
CID 160785529
1-butyl-1-hydroxyguanidine
CID 55288777
1-amino-1-(2-hydroxyethyl)guanidine
CID 15114687

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-ethoxyguanidine;hydrochloride?
The IUPAC name of 1-amino-1-ethoxyguanidine;hydrochloride (CID 158987183) is 1-amino-1-ethoxyguanidine;hydrochloride.
What is the SMILES notation for 1-amino-1-ethoxyguanidine;hydrochloride?
The canonical SMILES for 1-amino-1-ethoxyguanidine;hydrochloride is Cl.[H]/N=C(\N)N(N)OCC.
What is the InChIKey of 1-amino-1-ethoxyguanidine;hydrochloride?
The InChIKey is BNPLCVOXDHKCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O.ClH/c1-2-8-7(6)3(4)5;/h2,6H2,1H3,(H3,4,5);1H.
What are the key properties of 1-amino-1-ethoxyguanidine;hydrochloride?
1-amino-1-ethoxyguanidine;hydrochloride has a molecular weight of 154.60 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-ethoxyguanidine;hydrochloride is sourced from PubChem (CID 158987183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).