1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine

C19H32N4O — CID 110991573

IUPAC1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCCC1)NC1CCCC1
InChIInChI=1S/C19H32N4O/c1-3-20-19(22-16-8-4-5-9-16)21-14-17(23-12-6-7-13-23)18-11-10-15(2)24-18/h10-11,16-17H,3-9,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyIIMWVSJICRHTBW-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.22
Rot. Bonds6

About 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine

1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine (PubChem CID 110991573) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
PubChem CID110991573
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCCC1)NC1CCCC1
InChIInChI=1S/C19H32N4O/c1-3-20-19(22-16-8-4-5-9-16)21-14-17(23-12-6-7-13-23)18-11-10-15(2)24-18/h10-11,16-17H,3-9,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyIIMWVSJICRHTBW-UHFFFAOYSA-N
XLogP3.22
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.22
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

1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317858
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317857
1-cyclohexyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110959034
1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110927951
1-ethyl-3-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178337
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111916255
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972438
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409904
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646390
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111261490
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111146507
1-cyclopropyl-3-ethyl-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110988881

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine (CID 110991573) is 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine is CCN/C(=N\CC(c1ccc(C)o1)N1CCCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine?
The InChIKey is IIMWVSJICRHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-20-19(22-16-8-4-5-9-16)21-14-17(23-12-6-7-13-23)18-11-10-15(2)24-18/h10-11,16-17H,3-9,12-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine?
1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine has a molecular weight of 332.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine is sourced from PubChem (CID 110991573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).