1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide

C18H33IN4O — CID 111803912

IUPAC1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1.I
InChIInChI=1S/C18H32N4O.HI/c1-5-23-13-9-12-20-17(19)21-14-18(3,4)22-15(2)16-10-7-6-8-11-16;/h6-8,10-11,15,22H,5,9,12-14H2,1-4H3,(H3,19,20,21);1H
InChIKeyBPHJIUCYVRIWPL-UHFFFAOYSA-N
MW448.39 g/mol
LogP3.06
Rot. Bonds10

About 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide

1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide (PubChem CID 111803912) has the molecular formula C18H33IN4O and a molecular weight of 448.39 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
PubChem CID111803912
Molecular FormulaC18H33IN4O
Molecular Weight448.39 g/mol
Exact Mass448.17
IUPAC Name1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1.I
InChIInChI=1S/C18H32N4O.HI/c1-5-23-13-9-12-20-17(19)21-14-18(3,4)22-15(2)16-10-7-6-8-11-16;/h6-8,10-11,15,22H,5,9,12-14H2,1-4H3,(H3,19,20,21);1H
InChIKeyBPHJIUCYVRIWPL-UHFFFAOYSA-N
XLogP3.06
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
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

1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111111871
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine
CID 111803971
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803964
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111803927
2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
CID 111810371
1-(3-ethoxypropyl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111054268
1-(3,4-dimethoxyphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803947
1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111081870
1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803955
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
1-(3-ethoxypropyl)-2-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]guanidine;hydroiodide
CID 111101742

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide (CID 111803912) is 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide is CCOCCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1.I.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide?
The InChIKey is BPHJIUCYVRIWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O.HI/c1-5-23-13-9-12-20-17(19)21-14-18(3,4)22-15(2)16-10-7-6-8-11-16;/h6-8,10-11,15,22H,5,9,12-14H2,1-4H3,(H3,19,20,21);1H.
What are the key properties of 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide?
1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide has a molecular weight of 448.39 g/mol, XLogP of 3.06, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111803912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).