1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine

C14H32N4O — CID 111151522

IUPAC1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
SMILESCCCCN/C(=N/CCCN(C)CCOC)NCC
InChIInChI=1S/C14H32N4O/c1-5-7-9-16-14(15-6-2)17-10-8-11-18(3)12-13-19-4/h5-13H2,1-4H3,(H2,15,16,17)
InChIKeyDBQYWKQFXODWPT-UHFFFAOYSA-N
MW272.44 g/mol
LogP1.31
Rot. Bonds11

About 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine

1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine (PubChem CID 111151522) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine.

Molecular Properties

Compound Name1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
PubChem CID111151522
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC Name1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
SMILESCCCCN/C(=N/CCCN(C)CCOC)NCC
InChIInChI=1S/C14H32N4O/c1-5-7-9-16-14(15-6-2)17-10-8-11-18(3)12-13-19-4/h5-13H2,1-4H3,(H2,15,16,17)
InChIKeyDBQYWKQFXODWPT-UHFFFAOYSA-N
XLogP1.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-butyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111066546
1-butyl-2-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111150960
1-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]-3-(2-phenoxyethyl)guanidine
CID 111005999
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651076
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(5-methylhexyl)guanidine;hydroiodide
CID 111579894
1-ethyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906334
1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066563
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
2-(4-ethoxybutyl)-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652936
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111712396
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111391243
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978118

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine?
The IUPAC name of 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine (CID 111151522) is 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine.
What is the SMILES notation for 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine?
The canonical SMILES for 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine is CCCCN/C(=N/CCCN(C)CCOC)NCC.
What is the InChIKey of 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine?
The InChIKey is DBQYWKQFXODWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-5-7-9-16-14(15-6-2)17-10-8-11-18(3)12-13-19-4/h5-13H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine?
1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine has a molecular weight of 272.44 g/mol, XLogP of 1.31, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine is sourced from PubChem (CID 111151522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).