1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide

C20H35IN4O — CID 111343364

IUPAC1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccccc1)NCCN(CCOC)C1CC1.I
InChIInChI=1S/C20H34N4O.HI/c1-4-21-20(23-16-17(2)18-8-6-5-7-9-18)22-12-13-24(14-15-25-3)19-10-11-19;/h5-9,17,19H,4,10-16H2,1-3H3,(H2,21,22,23);1H
InChIKeyXAEUYSVPZDTHFA-UHFFFAOYSA-N
MW474.43 g/mol
LogP3.07
Rot. Bonds11

About 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide

1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111343364) has the molecular formula C20H35IN4O and a molecular weight of 474.43 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
PubChem CID111343364
Molecular FormulaC20H35IN4O
Molecular Weight474.43 g/mol
Exact Mass474.19
IUPAC Name1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1ccccc1)NCCN(CCOC)C1CC1.I
InChIInChI=1S/C20H34N4O.HI/c1-4-21-20(23-16-17(2)18-8-6-5-7-9-18)22-12-13-24(14-15-25-3)19-10-11-19;/h5-9,17,19H,4,10-16H2,1-3H3,(H2,21,22,23);1H
InChIKeyXAEUYSVPZDTHFA-UHFFFAOYSA-N
XLogP3.07
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
CID 111652056
1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342800
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111304750
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 109409494
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021867
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851951
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954692
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]guanidine;hydroiodide
CID 111847178
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111394556
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 110942185
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine
CID 111236665
2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111356952

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide (CID 111343364) is 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)c1ccccc1)NCCN(CCOC)C1CC1.I.
What is the InChIKey of 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is XAEUYSVPZDTHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O.HI/c1-4-21-20(23-16-17(2)18-8-6-5-7-9-18)22-12-13-24(14-15-25-3)19-10-11-19;/h5-9,17,19H,4,10-16H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide?
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 474.43 g/mol, XLogP of 3.07, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111343364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).