1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide

C20H38IN5O — CID 111834280

IUPAC1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
SMILESCCCN(CC)CCN/C(=N/CC(c1ccco1)N1CCCC1)NCC.I
InChIInChI=1S/C20H37N5O.HI/c1-4-12-24(6-3)15-11-22-20(21-5-2)23-17-18(19-10-9-16-26-19)25-13-7-8-14-25;/h9-10,16,18H,4-8,11-15,17H2,1-3H3,(H2,21,22,23);1H
InChIKeyCDYVFPLNNFSYFK-UHFFFAOYSA-N
MW491.46 g/mol
LogP3.32
Rot. Bonds11

About 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide

1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide (PubChem CID 111834280) has the molecular formula C20H38IN5O and a molecular weight of 491.46 g/mol. Its IUPAC name is 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
PubChem CID111834280
Molecular FormulaC20H38IN5O
Molecular Weight491.46 g/mol
Exact Mass491.21
IUPAC Name1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
SMILESCCCN(CC)CCN/C(=N/CC(c1ccco1)N1CCCC1)NCC.I
InChIInChI=1S/C20H37N5O.HI/c1-4-12-24(6-3)15-11-22-20(21-5-2)23-17-18(19-10-9-16-26-19)25-13-7-8-14-25;/h9-10,16,18H,4-8,11-15,17H2,1-3H3,(H2,21,22,23);1H
InChIKeyCDYVFPLNNFSYFK-UHFFFAOYSA-N
XLogP3.32
TPSA56.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111007947
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111834272
1-[2-[ethyl(propyl)amino]ethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111834225
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111837733
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111305062
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-(2-methoxyethyl)guanidine
CID 110941478
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111008446
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981880
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111007996
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111304228
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 111304750

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide (CID 111834280) is 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide is CCCN(CC)CCN/C(=N/CC(c1ccco1)N1CCCC1)NCC.I.
What is the InChIKey of 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The InChIKey is CDYVFPLNNFSYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O.HI/c1-4-12-24(6-3)15-11-22-20(21-5-2)23-17-18(19-10-9-16-26-19)25-13-7-8-14-25;/h9-10,16,18H,4-8,11-15,17H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide has a molecular weight of 491.46 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide is sourced from PubChem (CID 111834280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).