2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide

C9H20IN3O2 — CID 111414866

IUPAC2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
SMILESC/N=C(\N)NCCOCC1CCCO1.I
InChIInChI=1S/C9H19N3O2.HI/c1-11-9(10)12-4-6-13-7-8-3-2-5-14-8;/h8H,2-7H2,1H3,(H3,10,11,12);1H
InChIKeyTUZAESQAGWKYOD-UHFFFAOYSA-N
MW329.18 g/mol
LogP0.33
Rot. Bonds5

About 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide

2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide (PubChem CID 111414866) has the molecular formula C9H20IN3O2 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
PubChem CID111414866
Molecular FormulaC9H20IN3O2
Molecular Weight329.18 g/mol
Exact Mass329.06
IUPAC Name2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
SMILESC/N=C(\N)NCCOCC1CCCO1.I
InChIInChI=1S/C9H19N3O2.HI/c1-11-9(10)12-4-6-13-7-8-3-2-5-14-8;/h8H,2-7H2,1H3,(H3,10,11,12);1H
InChIKeyTUZAESQAGWKYOD-UHFFFAOYSA-N
XLogP0.33
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-cyclohexyl-2-methyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
CID 111546556
1-(2-butoxyethyl)-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407925
2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111036029
N-[2-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111409222
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408600
1-hexyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111035993
2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111129515
2-methyl-1-(3-methylsulfanylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111787332
2-methyl-1-(4-methylpentyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409288
1-(5-methoxypentyl)-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407502
1-(2-cyclopropylethyl)-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111604535
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide (CID 111414866) is 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide is C/N=C(\N)NCCOCC1CCCO1.I.
What is the InChIKey of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide?
The InChIKey is TUZAESQAGWKYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.HI/c1-11-9(10)12-4-6-13-7-8-3-2-5-14-8;/h8H,2-7H2,1H3,(H3,10,11,12);1H.
What are the key properties of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide?
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide has a molecular weight of 329.18 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111414866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).