2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine

C10H21N3O2 — CID 107265937

IUPAC2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(O)CCOC1C
InChIInChI=1S/C10H21N3O2/c1-3-5-12-9(11)13-7-10(14)4-6-15-8(10)2/h8,14H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyZFXCMIDLFPUBAU-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.16
Rot. Bonds4

About 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine

2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine (PubChem CID 107265937) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine
PubChem CID107265937
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(O)CCOC1C
InChIInChI=1S/C10H21N3O2/c1-3-5-12-9(11)13-7-10(14)4-6-15-8(10)2/h8,14H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyZFXCMIDLFPUBAU-UHFFFAOYSA-N
XLogP-0.16
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.16
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 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine 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 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine (CID 107265937) is 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(O)CCOC1C.
What is the InChIKey of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine?
The InChIKey is ZFXCMIDLFPUBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-5-12-9(11)13-7-10(14)4-6-15-8(10)2/h8,14H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine?
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine has a molecular weight of 215.30 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine is sourced from PubChem (CID 107265937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).