2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine

C17H30N4O — CID 111975333

IUPAC2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine
SMILESCCOC(CCN(C)C)C/N=C(\N)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H30N4O/c1-6-22-16(9-10-21(4)5)12-19-17(18)20-15-8-7-13(2)14(3)11-15/h7-8,11,16H,6,9-10,12H2,1-5H3,(H3,18,19,20)
InChIKeyMMJPSQYIRIOHCX-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.39
Rot. Bonds8

About 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine

2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine (PubChem CID 111975333) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine
PubChem CID111975333
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine
SMILESCCOC(CCN(C)C)C/N=C(\N)Nc1ccc(C)c(C)c1
InChIInChI=1S/C17H30N4O/c1-6-22-16(9-10-21(4)5)12-19-17(18)20-15-8-7-13(2)14(3)11-15/h7-8,11,16H,6,9-10,12H2,1-5H3,(H3,18,19,20)
InChIKeyMMJPSQYIRIOHCX-UHFFFAOYSA-N
XLogP2.39
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.39
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'}

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Related Compounds

2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine
CID 111975353
1-(2,3-dihydro-1H-inden-5-yl)-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine
CID 111975315
1-(3,4-dimethylphenyl)-2-(2-ethylbutyl)guanidine
CID 111800614
2-(2,2-difluoroethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111757705
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111073241
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111027998
1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine;hydroiodide
CID 111975052
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111056501
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine;hydroiodide
CID 111822828
1-(3,4-dimethylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042515
1-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058051
ethyl 4-[[amino-(3,4-dimethylanilino)methylidene]amino]butanoate;hydroiodide
CID 111025604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine?
The IUPAC name of 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine (CID 111975333) is 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine.
What is the SMILES notation for 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine?
The canonical SMILES for 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine is CCOC(CCN(C)C)C/N=C(\N)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine?
The InChIKey is MMJPSQYIRIOHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-6-22-16(9-10-21(4)5)12-19-17(18)20-15-8-7-13(2)14(3)11-15/h7-8,11,16H,6,9-10,12H2,1-5H3,(H3,18,19,20).
What are the key properties of 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine?
2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine has a molecular weight of 306.45 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine is sourced from PubChem (CID 111975333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).