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

C13H30N4O — CID 111975347

IUPAC2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine
SMILESCCOC(CCN(C)C)CN=C(N(C)C)N(C)C
InChIInChI=1S/C13H30N4O/c1-8-18-12(9-10-15(2)3)11-14-13(16(4)5)17(6)7/h12H,8-11H2,1-7H3
InChIKeyNOBBDTZXLCIAIE-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.82
Rot. Bonds7

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

2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111975347) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine
PubChem CID111975347
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine
SMILESCCOC(CCN(C)C)CN=C(N(C)C)N(C)C
InChIInChI=1S/C13H30N4O/c1-8-18-12(9-10-15(2)3)11-14-13(16(4)5)17(6)7/h12H,8-11H2,1-7H3
InChIKeyNOBBDTZXLCIAIE-UHFFFAOYSA-N
XLogP0.82
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.82
H-Bond Donors ≤ 50
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]-1,1-diethylguanidine;hydroiodide
CID 111975296
1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide
CID 110031536
1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine;hydroiodide
CID 111975052
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
2-[4-(dimethylamino)-2-ethoxybutyl]-1-(4-methoxyphenyl)guanidine
CID 111975353
2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3,4-dimethylphenyl)guanidine
CID 111975333
2-[4-(dimethylamino)-2-ethoxybutyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111975360
1-(2,3-dihydro-1H-inden-5-yl)-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine
CID 111975315
2-[4-(dimethylamino)-2-ethoxybutyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111975291
N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 115727472
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-[4-(dimethylamino)-2-ethoxybutyl]-3-ethylguanidine
CID 109494635
N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 115685053

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine (CID 111975347) is 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine is CCOC(CCN(C)C)CN=C(N(C)C)N(C)C.
What is the InChIKey of 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is NOBBDTZXLCIAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-8-18-12(9-10-15(2)3)11-14-13(16(4)5)17(6)7/h12H,8-11H2,1-7H3.
What are the key properties of 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine?
2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 258.41 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-ethoxybutyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111975347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).