1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine

C8H17N3O2 — CID 130948430

IUPAC1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC1(CO)CCOC1
InChIInChI=1S/C8H17N3O2/c1-9-7(10-2)11-8(5-12)3-4-13-6-8/h12H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyRKXSODGMUUIXHH-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.07
Rot. Bonds2

About 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine

1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine (PubChem CID 130948430) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine
PubChem CID130948430
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC1(CO)CCOC1
InChIInChI=1S/C8H17N3O2/c1-9-7(10-2)11-8(5-12)3-4-13-6-8/h12H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyRKXSODGMUUIXHH-UHFFFAOYSA-N
XLogP-1.07
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine?
The IUPAC name of 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine (CID 130948430) is 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine is C/N=C(\NC)NC1(CO)CCOC1.
What is the InChIKey of 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine?
The InChIKey is RKXSODGMUUIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-9-7(10-2)11-8(5-12)3-4-13-6-8/h12H,3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine?
1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine has a molecular weight of 187.24 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dimethylguanidine is sourced from PubChem (CID 130948430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).