2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide

C16H28IN3O2 — CID 110018543

IUPAC2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCCOCCOCc1ccccc1.I
InChIInChI=1S/C16H27N3O2.HI/c1-14(2)19-16(17)18-9-6-10-20-11-12-21-13-15-7-4-3-5-8-15;/h3-5,7-8,14H,6,9-13H2,1-2H3,(H3,17,18,19);1H
InChIKeyFLDIPRKREUYPOI-UHFFFAOYSA-N
MW421.32 g/mol
LogP2.54
Rot. Bonds10

About 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide

2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 110018543) has the molecular formula C16H28IN3O2 and a molecular weight of 421.32 g/mol. Its IUPAC name is 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID110018543
Molecular FormulaC16H28IN3O2
Molecular Weight421.32 g/mol
Exact Mass421.12
IUPAC Name2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCCOCCOCc1ccccc1.I
InChIInChI=1S/C16H27N3O2.HI/c1-14(2)19-16(17)18-9-6-10-20-11-12-21-13-15-7-4-3-5-8-15;/h3-5,7-8,14H,6,9-13H2,1-2H3,(H3,17,18,19);1H
InChIKeyFLDIPRKREUYPOI-UHFFFAOYSA-N
XLogP2.54
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 52.54
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-(2-phenylethyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018539
2-[4-(4-phenylmethoxyphenoxy)butyl]-1-propan-2-ylguanidine
CID 111044090
1-hexyl-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018541
1-(3-ethylphenyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018549
2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine
CID 103646281
1-tert-butyl-2-(4-phenylmethoxybutyl)guanidine
CID 111093625
2-(3-phenylsulfanylpropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111027093
1-cyclohexyl-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111093612
2-[3-(dibenzylamino)propyl]-1-propan-2-ylguanidine
CID 111722085
2-(3-anilinopropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111088147
2-(2-phenoxyethyl)-1-propan-2-ylguanidine
CID 62361568
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018535

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide (CID 110018543) is 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/C(N)=N/CCCOCCOCc1ccccc1.I.
What is the InChIKey of 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is FLDIPRKREUYPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.HI/c1-14(2)19-16(17)18-9-6-10-20-11-12-21-13-15-7-4-3-5-8-15;/h3-5,7-8,14H,6,9-13H2,1-2H3,(H3,17,18,19);1H.
What are the key properties of 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide?
2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 421.32 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 110018543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).