1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine

C19H34N4O — CID 111652056

IUPAC1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccccc1)NCCN(C)CCCOC
InChIInChI=1S/C19H34N4O/c1-5-20-19(21-12-14-23(3)13-9-15-24-4)22-16-17(2)18-10-7-6-8-11-18/h6-8,10-11,17H,5,9,12-16H2,1-4H3,(H2,20,21,22)
InChIKeyLSUPSKKRAMOLSR-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.31
Rot. Bonds11

About 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine

1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine (PubChem CID 111652056) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
PubChem CID111652056
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccccc1)NCCN(C)CCCOC
InChIInChI=1S/C19H34N4O/c1-5-20-19(21-12-14-23(3)13-9-15-24-4)22-16-17(2)18-10-7-6-8-11-18/h6-8,10-11,17H,5,9,12-16H2,1-4H3,(H2,20,21,22)
InChIKeyLSUPSKKRAMOLSR-UHFFFAOYSA-N
XLogP2.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.31
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

2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651103
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 109409494
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111653302
1-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111986891
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111652503
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111343364
1-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111986896
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651147
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methoxypropyl)guanidine
CID 109410343
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111650617
1-ethyl-2-(2-methoxy-2-phenylethyl)-3-(3-methoxypropyl)guanidine
CID 110973257
2-[(4-bromophenyl)methyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111977708

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine (CID 111652056) is 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine is CCN/C(=N\CC(C)c1ccccc1)NCCN(C)CCCOC.
What is the InChIKey of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine?
The InChIKey is LSUPSKKRAMOLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-5-20-19(21-12-14-23(3)13-9-15-24-4)22-16-17(2)18-10-7-6-8-11-18/h6-8,10-11,17H,5,9,12-16H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine?
1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine has a molecular weight of 334.51 g/mol, XLogP of 2.31, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-(2-phenylpropyl)guanidine is sourced from PubChem (CID 111652056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).