1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide

C15H26IN3O — CID 110951991

IUPAC1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide
SMILESCCN/C(=N\CCOCC)N(C)Cc1ccccc1.I
InChIInChI=1S/C15H25N3O.HI/c1-4-16-15(17-11-12-19-5-2)18(3)13-14-9-7-6-8-10-14;/h6-10H,4-5,11-13H2,1-3H3,(H,16,17);1H
InChIKeyGGOXDHIVTQJXNA-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.74
Rot. Bonds7

About 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide

1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide (PubChem CID 110951991) has the molecular formula C15H26IN3O and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide
PubChem CID110951991
Molecular FormulaC15H26IN3O
Molecular Weight391.30 g/mol
Exact Mass391.11
IUPAC Name1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide
SMILESCCN/C(=N\CCOCC)N(C)Cc1ccccc1.I
InChIInChI=1S/C15H25N3O.HI/c1-4-16-15(17-11-12-19-5-2)18(3)13-14-9-7-6-8-10-14;/h6-10H,4-5,11-13H2,1-3H3,(H,16,17);1H
InChIKeyGGOXDHIVTQJXNA-UHFFFAOYSA-N
XLogP2.74
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
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-[(4-bromophenyl)methyl]-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine
CID 111293203
1-benzyl-3-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-methylguanidine;hydroiodide
CID 110951121
1-benzyl-2-[3-(cyclopropylmethoxy)propyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 110951755
2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-(2-phenoxyethyl)guanidine
CID 111274021
1-benzyl-3-ethyl-1-methyl-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111492587
1-[(4-chlorophenyl)methyl]-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
CID 111293672
1-benzyl-3-ethyl-1-methyl-2-(2-methylsulfonylethyl)guanidine
CID 110950928
1-[(4-bromophenyl)methyl]-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine
CID 111292945
3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289151
1-benzyl-3-ethyl-1-methyl-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 110951479
1-[(2-bromophenyl)methyl]-2-(4-ethoxybutyl)-3-ethyl-1-methylguanidine;hydroiodide
CID 111275822
1-benzyl-3-ethyl-1-methyl-2-prop-2-ynylguanidine;hydroiodide
CID 110951249

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide?
The IUPAC name of 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide (CID 110951991) is 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide is CCN/C(=N\CCOCC)N(C)Cc1ccccc1.I.
What is the InChIKey of 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide?
The InChIKey is GGOXDHIVTQJXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.HI/c1-4-16-15(17-11-12-19-5-2)18(3)13-14-9-7-6-8-10-14;/h6-10H,4-5,11-13H2,1-3H3,(H,16,17);1H.
What are the key properties of 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide?
1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110951991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).