1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine

C18H31N3O2 — CID 110949254

IUPAC1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CCCCOCCOC)NC(C)c1ccccc1
InChIInChI=1S/C18H31N3O2/c1-4-19-18(20-12-8-9-13-23-15-14-22-3)21-16(2)17-10-6-5-7-11-17/h5-7,10-11,16H,4,8-9,12-15H2,1-3H3,(H2,19,20,21)
InChIKeyCYOBPTCVSINLGG-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.75
Rot. Bonds11

About 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine

1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine (PubChem CID 110949254) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine
PubChem CID110949254
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CCCCOCCOC)NC(C)c1ccccc1
InChIInChI=1S/C18H31N3O2/c1-4-19-18(20-12-8-9-13-23-15-14-22-3)21-16(2)17-10-6-5-7-11-17/h5-7,10-11,16H,4,8-9,12-15H2,1-3H3,(H2,19,20,21)
InChIKeyCYOBPTCVSINLGG-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.75
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-(4-ethoxybutyl)-1-ethyl-3-(1-phenylethyl)guanidine
CID 110948324
2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950161
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-[3-(1-phenylethoxy)propyl]guanidine
CID 111403509
1-[1-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111297789
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(3-phenoxypropyl)guanidine
CID 111418357
1-[3-[benzyl(methyl)amino]butyl]-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111719421
2-(2,2-diphenylethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111356952
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine
CID 111404809
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
N-[2-[[ethylamino-(1-phenylethylamino)methylidene]amino]ethyl]-4-methoxybenzamide
CID 110948132
1-ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-phenylethyl)guanidine
CID 110948166
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 110942179

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine (CID 110949254) is 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine is CCN/C(=N\CCCCOCCOC)NC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine?
The InChIKey is CYOBPTCVSINLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-4-19-18(20-12-8-9-13-23-15-14-22-3)21-16(2)17-10-6-5-7-11-17/h5-7,10-11,16H,4,8-9,12-15H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine?
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine has a molecular weight of 321.47 g/mol, XLogP of 2.75, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110949254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).