1-(2-hydroxypropyl)-1-methylguanidine

C5H13N3O — CID 18681356

IUPAC1-(2-hydroxypropyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC(C)O
InChIInChI=1S/C5H13N3O/c1-4(9)3-8(2)5(6)7/h4,9H,3H2,1-2H3,(H3,6,7)
InChIKeyRRPGJSFYYOETDT-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.81
Rot. Bonds2

About 1-(2-hydroxypropyl)-1-methylguanidine

1-(2-hydroxypropyl)-1-methylguanidine (PubChem CID 18681356) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-1-methylguanidine
PubChem CID18681356
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-(2-hydroxypropyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC(C)O
InChIInChI=1S/C5H13N3O/c1-4(9)3-8(2)5(6)7/h4,9H,3H2,1-2H3,(H3,6,7)
InChIKeyRRPGJSFYYOETDT-UHFFFAOYSA-N
XLogP-0.81
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.81
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-hydroxypropyl)-1-methylguanidine?
The IUPAC name of 1-(2-hydroxypropyl)-1-methylguanidine (CID 18681356) is 1-(2-hydroxypropyl)-1-methylguanidine.
What is the SMILES notation for 1-(2-hydroxypropyl)-1-methylguanidine?
The canonical SMILES for 1-(2-hydroxypropyl)-1-methylguanidine is [H]/N=C(\N)N(C)CC(C)O.
What is the InChIKey of 1-(2-hydroxypropyl)-1-methylguanidine?
The InChIKey is RRPGJSFYYOETDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(9)3-8(2)5(6)7/h4,9H,3H2,1-2H3,(H3,6,7).
What are the key properties of 1-(2-hydroxypropyl)-1-methylguanidine?
1-(2-hydroxypropyl)-1-methylguanidine has a molecular weight of 131.18 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-1-methylguanidine is sourced from PubChem (CID 18681356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).