1-(hydroxymethyl)-2-methylguanidine

C3H9N3O — CID 134159651

IUPAC1-(hydroxymethyl)-2-methylguanidine
SMILESC/N=C(\N)NCO
InChIInChI=1S/C3H9N3O/c1-5-3(4)6-2-7/h7H,2H2,1H3,(H3,4,5,6)
InChIKeyLIBDMNUSLSCUSM-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.53
Rot. Bonds1

About 1-(hydroxymethyl)-2-methylguanidine

1-(hydroxymethyl)-2-methylguanidine (PubChem CID 134159651) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 1-(hydroxymethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(hydroxymethyl)-2-methylguanidine
PubChem CID134159651
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name1-(hydroxymethyl)-2-methylguanidine
SMILESC/N=C(\N)NCO
InChIInChI=1S/C3H9N3O/c1-5-3(4)6-2-7/h7H,2H2,1H3,(H3,4,5,6)
InChIKeyLIBDMNUSLSCUSM-UHFFFAOYSA-N
XLogP-1.53
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-hydroxypropyl]-2-methylguanidine
CID 130678429
1-butyl-2-methylguanidine;propane
CID 163254942
2-methyl-1-(2-sulfamoylethyl)guanidine
CID 62358628
1-[3-(2-hydroxyethoxy)propyl]-2-methylguanidine
CID 103975187
N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide
CID 130626263
1,1,3,3-tetramethyl-2-[[(N'-methylcarbamimidoyl)amino]methyl]guanidine
CID 148897380
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
CID 83203999
1-(2-hydroxy-2-methylbutyl)-2-methylguanidine
CID 62999063
1-(1-hydroxypropan-2-yl)-2-methylguanidine
CID 62359529
2-methyl-1-(3-oxopentyl)guanidine
CID 142981589
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
1,2-dimethylguanidine;methanamine
CID 159210195

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-2-methylguanidine?
The IUPAC name of 1-(hydroxymethyl)-2-methylguanidine (CID 134159651) is 1-(hydroxymethyl)-2-methylguanidine.
What is the SMILES notation for 1-(hydroxymethyl)-2-methylguanidine?
The canonical SMILES for 1-(hydroxymethyl)-2-methylguanidine is C/N=C(\N)NCO.
What is the InChIKey of 1-(hydroxymethyl)-2-methylguanidine?
The InChIKey is LIBDMNUSLSCUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c1-5-3(4)6-2-7/h7H,2H2,1H3,(H3,4,5,6).
What are the key properties of 1-(hydroxymethyl)-2-methylguanidine?
1-(hydroxymethyl)-2-methylguanidine has a molecular weight of 103.12 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-2-methylguanidine is sourced from PubChem (CID 134159651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).