2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide

C11H20IN3O — CID 122125944

IUPAC2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCO1)NC1CC12CC2
InChIInChI=1S/C11H19N3O.HI/c12-10(13-7-8-2-1-5-15-8)14-9-6-11(9)3-4-11;/h8-9H,1-7H2,(H3,12,13,14);1H
InChIKeyZRYAXZRWLREEOW-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.24
Rot. Bonds3

About 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide

2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide (PubChem CID 122125944) has the molecular formula C11H20IN3O and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
PubChem CID122125944
Molecular FormulaC11H20IN3O
Molecular Weight337.21 g/mol
Exact Mass337.07
IUPAC Name2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CCCO1)NC1CC12CC2
InChIInChI=1S/C11H19N3O.HI/c12-10(13-7-8-2-1-5-15-8)14-9-6-11(9)3-4-11;/h8-9H,1-7H2,(H3,12,13,14);1H
InChIKeyZRYAXZRWLREEOW-UHFFFAOYSA-N
XLogP1.24
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine
CID 120514514
2-(oxolan-2-ylmethyl)-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394149
1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(oxolan-2-ylmethyl)guanidine
CID 122126043
2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111478634
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125996
1-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 120973129
N-[3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752321
1-(3,4-dihydro-2H-chromen-4-yl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913382
1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 119129933
N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide
CID 110917892
2-(cyclobutylmethyl)-1-spiro[3.4]octan-3-ylguanidine;hydroiodide
CID 120514391
N'-(oxan-2-ylmethyl)cyclopentanecarboximidamide
CID 63177022

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide (CID 122125944) is 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide is I.N/C(=N\CC1CCCO1)NC1CC12CC2.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide?
The InChIKey is ZRYAXZRWLREEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O.HI/c12-10(13-7-8-2-1-5-15-8)14-9-6-11(9)3-4-11;/h8-9H,1-7H2,(H3,12,13,14);1H.
What are the key properties of 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide?
2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide has a molecular weight of 337.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 122125944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).