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

C16H29IN4O — CID 111111871

IUPAC1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1.I
InChIInChI=1S/C16H28N4O.HI/c1-13(14-8-6-5-7-9-14)20-16(2,3)12-19-15(17)18-10-11-21-4;/h5-9,13,20H,10-12H2,1-4H3,(H3,17,18,19);1H
InChIKeyGTLIZOBJDUTBCN-UHFFFAOYSA-N
MW420.34 g/mol
LogP2.28
Rot. Bonds8

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

1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide (PubChem CID 111111871) has the molecular formula C16H29IN4O and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
PubChem CID111111871
Molecular FormulaC16H29IN4O
Molecular Weight420.34 g/mol
Exact Mass420.14
IUPAC Name1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1.I
InChIInChI=1S/C16H28N4O.HI/c1-13(14-8-6-5-7-9-14)20-16(2,3)12-19-15(17)18-10-11-21-4;/h5-9,13,20H,10-12H2,1-4H3,(H3,17,18,19);1H
InChIKeyGTLIZOBJDUTBCN-UHFFFAOYSA-N
XLogP2.28
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 52.28
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

2-[2-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine
CID 111803971
1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111803912
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
1-(3,4-dimethoxyphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803947
2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
CID 111810371
1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803955
4-methyl-N'-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111111877
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803961
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
2-[2-(diethylamino)-3-phenylpropyl]-1-(2-methoxyethyl)guanidine
CID 110924642

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide (CID 111111871) is 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide is COCCN/C(N)=N/CC(C)(C)NC(C)c1ccccc1.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide?
The InChIKey is GTLIZOBJDUTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.HI/c1-13(14-8-6-5-7-9-14)20-16(2,3)12-19-15(17)18-10-11-21-4;/h5-9,13,20H,10-12H2,1-4H3,(H3,17,18,19);1H.
What are the key properties of 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide has a molecular weight of 420.34 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111111871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).