1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide

C16H29IN4O — CID 110927951

IUPAC1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
SMILESCCNC(=NCC(c1ccc(C)o1)N1CCCC1)NCC.I
InChIInChI=1S/C16H28N4O.HI/c1-4-17-16(18-5-2)19-12-14(20-10-6-7-11-20)15-9-8-13(3)21-15;/h8-9,14H,4-7,10-12H2,1-3H3,(H2,17,18,19);1H
InChIKeyGOAXNWYFKCUKBR-UHFFFAOYSA-N
MW420.34 g/mol
LogP2.92
Rot. Bonds6

About 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide

1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide (PubChem CID 110927951) has the molecular formula C16H29IN4O and a molecular weight of 420.34 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
PubChem CID110927951
Molecular FormulaC16H29IN4O
Molecular Weight420.34 g/mol
Exact Mass420.14
IUPAC Name1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
SMILESCCNC(=NCC(c1ccc(C)o1)N1CCCC1)NCC.I
InChIInChI=1S/C16H28N4O.HI/c1-4-17-16(18-5-2)19-12-14(20-10-6-7-11-20)15-9-8-13(3)21-15;/h8-9,14H,4-7,10-12H2,1-3H3,(H2,17,18,19);1H
InChIKeyGOAXNWYFKCUKBR-UHFFFAOYSA-N
XLogP2.92
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 52.92
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 110991573
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-pyrrolidin-1-ylethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317857
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-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317858
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111146507
1-cyclohexyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110959034
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-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111714923
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-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646390
1-(4-ethoxybutyl)-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111946142

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide (CID 110927951) is 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide is CCNC(=NCC(c1ccc(C)o1)N1CCCC1)NCC.I.
What is the InChIKey of 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
The InChIKey is GOAXNWYFKCUKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.HI/c1-4-17-16(18-5-2)19-12-14(20-10-6-7-11-20)15-9-8-13(3)21-15;/h8-9,14H,4-7,10-12H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide?
1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide has a molecular weight of 420.34 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide is sourced from PubChem (CID 110927951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).