2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide

C17H28IN3O2 — CID 111545682

IUPAC2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOCC1CCCO1)NC(C)c1ccccc1.I
InChIInChI=1S/C17H27N3O2.HI/c1-14(15-7-4-3-5-8-15)20-17(18-2)19-10-12-21-13-16-9-6-11-22-16;/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H2,18,19,20);1H
InChIKeyZUZJCMXGSOWGNM-UHFFFAOYSA-N
MW433.33 g/mol
LogP2.73
Rot. Bonds7

About 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide

2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 111545682) has the molecular formula C17H28IN3O2 and a molecular weight of 433.33 g/mol. Its IUPAC name is 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID111545682
Molecular FormulaC17H28IN3O2
Molecular Weight433.33 g/mol
Exact Mass433.12
IUPAC Name2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCOCC1CCCO1)NC(C)c1ccccc1.I
InChIInChI=1S/C17H27N3O2.HI/c1-14(15-7-4-3-5-8-15)20-17(18-2)19-10-12-21-13-16-9-6-11-22-16;/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H2,18,19,20);1H
InChIKeyZUZJCMXGSOWGNM-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 52.73
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'}

Analyze 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;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-[2-(cyclopropylmethoxy)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545832
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111785027
2-methyl-1-(oxolan-2-ylmethyl)-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111139820
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408600
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950157
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111783436
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111785223
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111786771
1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
CID 110948758
1-(3,3-diphenylpropyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137624
1-[3-(benzenesulfonyl)propyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407462
2-methyl-1-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide (CID 111545682) is 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide is C/N=C(\NCCOCC1CCCO1)NC(C)c1ccccc1.I.
What is the InChIKey of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is ZUZJCMXGSOWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.HI/c1-14(15-7-4-3-5-8-15)20-17(18-2)19-10-12-21-13-16-9-6-11-22-16;/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 433.33 g/mol, XLogP of 2.73, 7 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]-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111545682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).