2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine

C17H29N3O — CID 110948324

IUPAC2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CCCCOCC)NC(C)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-4-18-17(19-13-9-10-14-21-5-2)20-15(3)16-11-7-6-8-12-16/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H2,18,19,20)
InChIKeyFYBFHDAFTYEICN-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.12
Rot. Bonds9

About 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine

2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine (PubChem CID 110948324) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine
PubChem CID110948324
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CCCCOCC)NC(C)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-4-18-17(19-13-9-10-14-21-5-2)20-15(3)16-11-7-6-8-12-16/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H2,18,19,20)
InChIKeyFYBFHDAFTYEICN-UHFFFAOYSA-N
XLogP3.12
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine
CID 110949254
2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950161
2-(4-ethoxybutyl)-1-ethyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000938
2-(3-ethoxypropyl)-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172620
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine
CID 110948166
2-(4-ethoxybutyl)-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111005039
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(1-phenylethyl)guanidine
CID 110949496
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
1,3-diethyl-2-(4-phenylmethoxybutyl)guanidine
CID 110917028
1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine
CID 111945201
1-ethyl-2-[3-(1-phenylethoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127121

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine?
The IUPAC name of 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine (CID 110948324) is 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine?
The canonical SMILES for 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine is CCN/C(=N\CCCCOCC)NC(C)c1ccccc1.
What is the InChIKey of 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine?
The InChIKey is FYBFHDAFTYEICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-18-17(19-13-9-10-14-21-5-2)20-15(3)16-11-7-6-8-12-16/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine?
2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine has a molecular weight of 291.44 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110948324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).