1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine

C22H38N4O — CID 111826753

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCc1ccc2c(c1)CCO2)NC(C)CCCN(CC)CC
InChIInChI=1S/C22H38N4O/c1-5-23-22(25-18(4)9-8-15-26(6-2)7-3)24-14-12-19-10-11-21-20(17-19)13-16-27-21/h10-11,17-18H,5-9,12-16H2,1-4H3,(H2,23,24,25)
InChIKeyOAICDZJDONXYJZ-UHFFFAOYSA-N
MW374.57 g/mol
LogP3.23
Rot. Bonds11

About 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine

1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine (PubChem CID 111826753) has the molecular formula C22H38N4O and a molecular weight of 374.57 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine
PubChem CID111826753
Molecular FormulaC22H38N4O
Molecular Weight374.57 g/mol
Exact Mass374.30
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCc1ccc2c(c1)CCO2)NC(C)CCCN(CC)CC
InChIInChI=1S/C22H38N4O/c1-5-23-22(25-18(4)9-8-15-26(6-2)7-3)24-14-12-19-10-11-21-20(17-19)13-16-27-21/h10-11,17-18H,5-9,12-16H2,1-4H3,(H2,23,24,25)
InChIKeyOAICDZJDONXYJZ-UHFFFAOYSA-N
XLogP3.23
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine
CID 75423793
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 110999469
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111563760
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(4-methylsulfanylphenyl)methyl]guanidine
CID 110997735
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111563759
2-[2-(diethylamino)propyl]-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111563393
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 110999054
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 75423791
N-[2-[[N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111562355
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111562403
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111563958
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[2-(2-fluorophenyl)ethyl]guanidine
CID 111563348

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine (CID 111826753) is 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine is CCN/C(=N\CCc1ccc2c(c1)CCO2)NC(C)CCCN(CC)CC.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine?
The InChIKey is OAICDZJDONXYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O/c1-5-23-22(25-18(4)9-8-15-26(6-2)7-3)24-14-12-19-10-11-21-20(17-19)13-16-27-21/h10-11,17-18H,5-9,12-16H2,1-4H3,(H2,23,24,25).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine?
1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine has a molecular weight of 374.57 g/mol, XLogP of 3.23, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 111826753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).