2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine

C17H30N4O — CID 111240907

IUPAC2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
SMILESCCCCOCCC/N=C(\NCC)NCCc1cccnc1
InChIInChI=1S/C17H30N4O/c1-3-5-13-22-14-7-11-20-17(19-4-2)21-12-9-16-8-6-10-18-15-16/h6,8,10,15H,3-5,7,9,11-14H2,1-2H3,(H2,19,20,21)
InChIKeyGPAWXLZNMYRRTB-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.39
Rot. Bonds11

About 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine

2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine (PubChem CID 111240907) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine.

Molecular Properties

Compound Name2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
PubChem CID111240907
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
SMILESCCCCOCCC/N=C(\NCC)NCCc1cccnc1
InChIInChI=1S/C17H30N4O/c1-3-5-13-22-14-7-11-20-17(19-4-2)21-12-9-16-8-6-10-18-15-16/h6,8,10,15H,3-5,7,9,11-14H2,1-2H3,(H2,19,20,21)
InChIKeyGPAWXLZNMYRRTB-UHFFFAOYSA-N
XLogP2.39
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
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': '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-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-pyridin-3-ylethyl)guanidine
CID 111402203
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111402202
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111200249
1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 75423262
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111006609
2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111358554
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111840133
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111280988
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111499400
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111840056
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111170429
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111932863

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The IUPAC name of 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine (CID 111240907) is 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine.
What is the SMILES notation for 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The canonical SMILES for 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine is CCCCOCCC/N=C(\NCC)NCCc1cccnc1.
What is the InChIKey of 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
The InChIKey is GPAWXLZNMYRRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-5-13-22-14-7-11-20-17(19-4-2)21-12-9-16-8-6-10-18-15-16/h6,8,10,15H,3-5,7,9,11-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine?
2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine has a molecular weight of 306.45 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine is sourced from PubChem (CID 111240907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).