2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide

C17H36IN3O2 — CID 111609003

IUPAC2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCCC1CCCC1)NCCOCCOC.I
InChIInChI=1S/C17H35N3O2.HI/c1-3-18-17(20-12-13-22-15-14-21-2)19-11-7-6-10-16-8-4-5-9-16;/h16H,3-15H2,1-2H3,(H2,18,19,20);1H
InChIKeySNZWMUPVPGWRQG-UHFFFAOYSA-N
MW441.40 g/mol
LogP3.18
Rot. Bonds12

About 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide

2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide (PubChem CID 111609003) has the molecular formula C17H36IN3O2 and a molecular weight of 441.40 g/mol. Its IUPAC name is 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
PubChem CID111609003
Molecular FormulaC17H36IN3O2
Molecular Weight441.40 g/mol
Exact Mass441.19
IUPAC Name2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCCCC1CCCC1)NCCOCCOC.I
InChIInChI=1S/C17H35N3O2.HI/c1-3-18-17(20-12-13-22-15-14-21-2)19-11-7-6-10-16-8-4-5-9-16;/h16H,3-15H2,1-2H3,(H2,18,19,20);1H
InChIKeySNZWMUPVPGWRQG-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
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

2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 111946727
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
methyl 3-[[N'-(4-cyclopentylbutyl)-N-ethylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111608709
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111397135
1-(4-cyclohexylbutan-2-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 109482847
2-(3-cyclohexylpropyl)-1-ethyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111671465
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828
1-(3-cyclopentylpropyl)-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111946436
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
N-[2-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111405254
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370345

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide (CID 111609003) is 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide is CCN/C(=N\CCCCC1CCCC1)NCCOCCOC.I.
What is the InChIKey of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide?
The InChIKey is SNZWMUPVPGWRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2.HI/c1-3-18-17(20-12-13-22-15-14-21-2)19-11-7-6-10-16-8-4-5-9-16;/h16H,3-15H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide?
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide has a molecular weight of 441.40 g/mol, XLogP of 3.18, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111609003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).