1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide

C17H30IN3O — CID 110940215

IUPAC1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccccc1C)NCCOC.I
InChIInChI=1S/C17H29N3O.HI/c1-6-18-16(19-11-12-21-5)20-13-17(3,4)15-10-8-7-9-14(15)2;/h7-10H,6,11-13H2,1-5H3,(H2,18,19,20);1H
InChIKeyKEALAJGNFJYUMS-UHFFFAOYSA-N
MW419.35 g/mol
LogP3.09
Rot. Bonds7

About 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide

1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide (PubChem CID 110940215) has the molecular formula C17H30IN3O and a molecular weight of 419.35 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
PubChem CID110940215
Molecular FormulaC17H30IN3O
Molecular Weight419.35 g/mol
Exact Mass419.14
IUPAC Name1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccccc1C)NCCOC.I
InChIInChI=1S/C17H29N3O.HI/c1-6-18-16(19-11-12-21-5)20-13-17(3,4)15-10-8-7-9-14(15)2;/h7-10H,6,11-13H2,1-5H3,(H2,18,19,20);1H
InChIKeyKEALAJGNFJYUMS-UHFFFAOYSA-N
XLogP3.09
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 53.09
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-[2-(2-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110942065
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111948020
1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine
CID 110940214
1-ethyl-2-[2-(2-fluorophenyl)-2-methylpropyl]-3-propylguanidine
CID 111227779
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110941791
1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606699
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 109417286
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxyethyl)guanidine
CID 111663695
1-ethyl-2-(2-methyl-2-phenylpropyl)-3-propylguanidine;hydroiodide
CID 111225902
1-ethyl-3-(5-methoxypentyl)-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360950
3-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110942506
1-ethyl-3-(2-methoxyethyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine;hydroiodide
CID 110939377

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide (CID 110940215) is 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)(C)c1ccccc1C)NCCOC.I.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide?
The InChIKey is KEALAJGNFJYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.HI/c1-6-18-16(19-11-12-21-5)20-13-17(3,4)15-10-8-7-9-14(15)2;/h7-10H,6,11-13H2,1-5H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide?
1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide has a molecular weight of 419.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(2-methylphenyl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110940215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).