2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide

C17H37IN4O — CID 111802229

IUPAC2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide
SMILESCCCCCCCCN/C(N)=N/CC(C)CN1CCOCC1.I
InChIInChI=1S/C17H36N4O.HI/c1-3-4-5-6-7-8-9-19-17(18)20-14-16(2)15-21-10-12-22-13-11-21;/h16H,3-15H2,1-2H3,(H3,18,19,20);1H
InChIKeyLQNIQEAQIKJHGB-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.84
Rot. Bonds11

About 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide

2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide (PubChem CID 111802229) has the molecular formula C17H37IN4O and a molecular weight of 440.41 g/mol. Its IUPAC name is 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide
PubChem CID111802229
Molecular FormulaC17H37IN4O
Molecular Weight440.41 g/mol
Exact Mass440.20
IUPAC Name2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide
SMILESCCCCCCCCN/C(N)=N/CC(C)CN1CCOCC1.I
InChIInChI=1S/C17H36N4O.HI/c1-3-4-5-6-7-8-9-19-17(18)20-14-16(2)15-21-10-12-22-13-11-21;/h16H,3-15H2,1-2H3,(H3,18,19,20);1H
InChIKeyLQNIQEAQIKJHGB-UHFFFAOYSA-N
XLogP2.84
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.84
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

2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-octylguanidine;hydroiodide
CID 111070427
1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111041494
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
CID 111070313
1-(6-methylheptan-2-yl)-2-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111802199
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070337
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056058
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
1-butyl-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111835246
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927369
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111041688
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide?
The IUPAC name of 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide (CID 111802229) is 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide.
What is the SMILES notation for 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide?
The canonical SMILES for 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide is CCCCCCCCN/C(N)=N/CC(C)CN1CCOCC1.I.
What is the InChIKey of 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide?
The InChIKey is LQNIQEAQIKJHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O.HI/c1-3-4-5-6-7-8-9-19-17(18)20-14-16(2)15-21-10-12-22-13-11-21;/h16H,3-15H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide?
2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide has a molecular weight of 440.41 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide is sourced from PubChem (CID 111802229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).