1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine

C16H28N4O2 — CID 110941478

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC(c1ccco1)N1CCCC1)NCCOC
InChIInChI=1S/C16H28N4O2/c1-3-17-16(18-8-12-21-2)19-13-14(15-7-6-11-22-15)20-9-4-5-10-20/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3,(H2,17,18,19)
InChIKeyRIBGORSAPYPJDZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.62
Rot. Bonds8

About 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine

1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine (PubChem CID 110941478) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine
PubChem CID110941478
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC(c1ccco1)N1CCCC1)NCCOC
InChIInChI=1S/C16H28N4O2/c1-3-17-16(18-8-12-21-2)19-13-14(15-7-6-11-22-15)20-9-4-5-10-20/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3,(H2,17,18,19)
InChIKeyRIBGORSAPYPJDZ-UHFFFAOYSA-N
XLogP1.62
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111304033
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111007833
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111008146
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 111304158
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111759967
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111304750
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine
CID 52502154
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111305062
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methoxyethyl)guanidine;hydrobromide
CID 75535404
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111007520
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111008446
1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111007947

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine (CID 110941478) is 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine is CCN/C(=N\CC(c1ccco1)N1CCCC1)NCCOC.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine?
The InChIKey is RIBGORSAPYPJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-17-16(18-8-12-21-2)19-13-14(15-7-6-11-22-15)20-9-4-5-10-20/h6-7,11,14H,3-5,8-10,12-13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine has a molecular weight of 308.43 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110941478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).