2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide

C9H20IN3O2 — CID 119117160

IUPAC2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESCC(O)C/N=C(\N)NCC1CCCO1.I
InChIInChI=1S/C9H19N3O2.HI/c1-7(13)5-11-9(10)12-6-8-3-2-4-14-8;/h7-8,13H,2-6H2,1H3,(H3,10,11,12);1H
InChIKeyCFZBBPWTHBTPQK-UHFFFAOYSA-N
MW329.18 g/mol
LogP0.07
Rot. Bonds4

About 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide

2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119117160) has the molecular formula C9H20IN3O2 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
PubChem CID119117160
Molecular FormulaC9H20IN3O2
Molecular Weight329.18 g/mol
Exact Mass329.06
IUPAC Name2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESCC(O)C/N=C(\N)NCC1CCCO1.I
InChIInChI=1S/C9H19N3O2.HI/c1-7(13)5-11-9(10)12-6-8-3-2-4-14-8;/h7-8,13H,2-6H2,1H3,(H3,10,11,12);1H
InChIKeyCFZBBPWTHBTPQK-UHFFFAOYSA-N
XLogP0.07
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 50.07
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(oxolan-2-ylmethyl)guanidine
CID 122081866
2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 111969230
2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110924771
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 110913403
2-(oxan-4-ylmethyl)-1-(oxolan-2-ylmethyl)guanidine
CID 119118912
2-[(1-methylsulfonylcyclopropyl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 120662757
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110918021
2-[(4-methylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 95292400
1-(oxolan-2-ylmethyl)-2-[(2-prop-1-en-2-yloxolan-3-yl)methyl]guanidine
CID 122082594
1-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083307
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide (CID 119117160) is 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide is CC(O)C/N=C(\N)NCC1CCCO1.I.
What is the InChIKey of 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is CFZBBPWTHBTPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.HI/c1-7(13)5-11-9(10)12-6-8-3-2-4-14-8;/h7-8,13H,2-6H2,1H3,(H3,10,11,12);1H.
What are the key properties of 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide?
2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 329.18 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-1-(oxolan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119117160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).