2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide

C20H28IN3O — CID 111031127

IUPAC2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(c1ccccc1)c1ccccc1.I
InChIInChI=1S/C20H27N3O.HI/c1-2-24-15-9-14-22-20(21)23-16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19H,2,9,14-16H2,1H3,(H3,21,22,23);1H
InChIKeyALAOLVHFSLQGAH-UHFFFAOYSA-N
MW453.37 g/mol
LogP3.77
Rot. Bonds9

About 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide

2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide (PubChem CID 111031127) has the molecular formula C20H28IN3O and a molecular weight of 453.37 g/mol. Its IUPAC name is 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
PubChem CID111031127
Molecular FormulaC20H28IN3O
Molecular Weight453.37 g/mol
Exact Mass453.13
IUPAC Name2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(c1ccccc1)c1ccccc1.I
InChIInChI=1S/C20H27N3O.HI/c1-2-24-15-9-14-22-20(21)23-16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19H,2,9,14-16H2,1H3,(H3,21,22,23);1H
InChIKeyALAOLVHFSLQGAH-UHFFFAOYSA-N
XLogP3.77
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 53.77
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

1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111081870
1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111803912
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
2-(2,2-diphenylethyl)-1-ethylguanidine
CID 111031160
1-(3-ethoxypropyl)-2-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]guanidine;hydroiodide
CID 111101742
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 111077313
1-(3-ethoxypropyl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111054268
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111039887
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111516881
1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070159

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide?
The IUPAC name of 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide (CID 111031127) is 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide is CCOCCCN/C(N)=N/CC(c1ccccc1)c1ccccc1.I.
What is the InChIKey of 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide?
The InChIKey is ALAOLVHFSLQGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.HI/c1-2-24-15-9-14-22-20(21)23-16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19H,2,9,14-16H2,1H3,(H3,21,22,23);1H.
What are the key properties of 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide?
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide has a molecular weight of 453.37 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 111031127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).