1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine

C17H38N4O2 — CID 111693560

IUPAC1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine
SMILESCCCCOCCOCCN/C(=N/CC(C)(C)N(C)C)NCC
InChIInChI=1S/C17H38N4O2/c1-7-9-11-22-13-14-23-12-10-19-16(18-8-2)20-15-17(3,4)21(5)6/h7-15H2,1-6H3,(H2,18,19,20)
InChIKeyDFWIQQDUQCCJIK-UHFFFAOYSA-N
MW330.52 g/mol
LogP1.72
Rot. Bonds13

About 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine

1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine (PubChem CID 111693560) has the molecular formula C17H38N4O2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine
PubChem CID111693560
Molecular FormulaC17H38N4O2
Molecular Weight330.52 g/mol
Exact Mass330.30
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine
SMILESCCCCOCCOCCN/C(=N/CC(C)(C)N(C)C)NCC
InChIInChI=1S/C17H38N4O2/c1-7-9-11-22-13-14-23-12-10-19-16(18-8-2)20-15-17(3,4)21(5)6/h7-15H2,1-6H3,(H2,18,19,20)
InChIKeyDFWIQQDUQCCJIK-UHFFFAOYSA-N
XLogP1.72
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-hexylguanidine
CID 111161073
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine
CID 111494992
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 111494991
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-ethylguanidine
CID 111693892
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408424
1-(2-butoxyethyl)-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315969
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111399297
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111499432
1-(3-butoxypropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111226433
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111894898
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine
CID 111693714

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine (CID 111693560) is 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine is CCCCOCCOCCN/C(=N/CC(C)(C)N(C)C)NCC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine?
The InChIKey is DFWIQQDUQCCJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4O2/c1-7-9-11-22-13-14-23-12-10-19-16(18-8-2)20-15-17(3,4)21(5)6/h7-15H2,1-6H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine?
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine has a molecular weight of 330.52 g/mol, XLogP of 1.72, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine is sourced from PubChem (CID 111693560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).