1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide

C16H36IN3O2 — CID 111212994

IUPAC1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
SMILESCCCCCCC(C)N/C(=N/C)NCCCOCCOC.I
InChIInChI=1S/C16H35N3O2.HI/c1-5-6-7-8-10-15(2)19-16(17-3)18-11-9-12-21-14-13-20-4;/h15H,5-14H2,1-4H3,(H2,17,18,19);1H
InChIKeyHQBPQUYMKIXZOB-UHFFFAOYSA-N
MW429.39 g/mol
LogP3.18
Rot. Bonds13

About 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide (PubChem CID 111212994) has the molecular formula C16H36IN3O2 and a molecular weight of 429.39 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
PubChem CID111212994
Molecular FormulaC16H36IN3O2
Molecular Weight429.39 g/mol
Exact Mass429.19
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
SMILESCCCCCCC(C)N/C(=N/C)NCCCOCCOC.I
InChIInChI=1S/C16H35N3O2.HI/c1-5-6-7-8-10-15(2)19-16(17-3)18-11-9-12-21-14-13-20-4;/h15H,5-14H2,1-4H3,(H2,17,18,19);1H
InChIKeyHQBPQUYMKIXZOB-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 53.18
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-(5-methoxypentyl)-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111212382
1-hexyl-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111161256
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111204562
1-(4-ethoxybutyl)-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111195169
1-butyl-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150615
N-(2-methoxyethyl)-2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]acetamide
CID 111212331
1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111240887
1-(2-ethoxyethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212471
1-butan-2-yl-3-(3-butoxypropyl)-2-methylguanidine
CID 110944688
2-methyl-1-octan-2-yl-3-propylguanidine
CID 111212541
1-[2-(cyclopropylmethoxy)ethyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111762486
1-ethyl-3-heptan-2-yl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111195091

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide (CID 111212994) is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide is CCCCCCC(C)N/C(=N/C)NCCCOCCOC.I.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide?
The InChIKey is HQBPQUYMKIXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2.HI/c1-5-6-7-8-10-15(2)19-16(17-3)18-11-9-12-21-14-13-20-4;/h15H,5-14H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide?
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide has a molecular weight of 429.39 g/mol, XLogP of 3.18, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111212994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).