1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide

C4H12BrN3O — CID 3014527

IUPAC1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide
SMILESBr.[H]/N=C(\N)N(C)CCO
InChIInChI=1S/C4H11N3O.BrH/c1-7(2-3-8)4(5)6;/h8H,2-3H2,1H3,(H3,5,6);1H
InChIKeyDRZIYUDRTAHAMD-UHFFFAOYSA-N
MW198.06 g/mol
LogP-0.62
Rot. Bonds2

About 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide

1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide (PubChem CID 3014527) has the molecular formula C4H12BrN3O and a molecular weight of 198.06 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide
PubChem CID3014527
Molecular FormulaC4H12BrN3O
Molecular Weight198.06 g/mol
Exact Mass197.02
IUPAC Name1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide
SMILESBr.[H]/N=C(\N)N(C)CCO
InChIInChI=1S/C4H11N3O.BrH/c1-7(2-3-8)4(5)6;/h8H,2-3H2,1H3,(H3,5,6);1H
InChIKeyDRZIYUDRTAHAMD-UHFFFAOYSA-N
XLogP-0.62
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-hydroxyethyl)-1-methylguanidine;hydrobromide?
The IUPAC name of 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide (CID 3014527) is 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide is Br.[H]/N=C(\N)N(C)CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide?
The InChIKey is DRZIYUDRTAHAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O.BrH/c1-7(2-3-8)4(5)6;/h8H,2-3H2,1H3,(H3,5,6);1H.
What are the key properties of 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide?
1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide has a molecular weight of 198.06 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methylguanidine;hydrobromide is sourced from PubChem (CID 3014527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).