2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide

C17H30IN3O — CID 110950161

IUPAC2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCCCOCC/N=C(\NCC)NC(C)c1ccccc1.I
InChIInChI=1S/C17H29N3O.HI/c1-4-6-13-21-14-12-19-17(18-5-2)20-15(3)16-10-8-7-9-11-16;/h7-11,15H,4-6,12-14H2,1-3H3,(H2,18,19,20);1H
InChIKeyARAYFKQGAWBENQ-UHFFFAOYSA-N
MW419.35 g/mol
LogP3.74
Rot. Bonds9

About 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide

2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110950161) has the molecular formula C17H30IN3O and a molecular weight of 419.35 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110950161
Molecular FormulaC17H30IN3O
Molecular Weight419.35 g/mol
Exact Mass419.14
IUPAC Name2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCCCOCC/N=C(\NCC)NC(C)c1ccccc1.I
InChIInChI=1S/C17H29N3O.HI/c1-4-6-13-21-14-12-19-17(18-5-2)20-15(3)16-10-8-7-9-11-16;/h7-11,15H,4-6,12-14H2,1-3H3,(H2,18,19,20);1H
InChIKeyARAYFKQGAWBENQ-UHFFFAOYSA-N
XLogP3.74
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine
CID 110948324
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine
CID 110949254
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111499651
1-ethyl-2-[2-(4-methylsulfonylphenoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545740
2-(2-butoxyethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111238012
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
N-[2-[[N'-[2-(2-butoxyethoxy)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111693223
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545940
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950275
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(1-phenylethyl)guanidine
CID 110949496
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948169

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 110950161) is 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide is CCCCOCC/N=C(\NCC)NC(C)c1ccccc1.I.
What is the InChIKey of 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is ARAYFKQGAWBENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.HI/c1-4-6-13-21-14-12-19-17(18-5-2)20-15(3)16-10-8-7-9-11-16;/h7-11,15H,4-6,12-14H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide?
2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 419.35 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110950161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).