N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C22H37IN4O2 — CID 110054875

IUPACN'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCC1CCCCC1N/C(=N/CCc1ccco1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C22H36N4O2.HI/c1-18-5-2-3-7-21(18)24-22(23-10-8-20-6-4-14-28-20)26-11-9-19(17-26)25-12-15-27-16-13-25;/h4,6,14,18-19,21H,2-3,5,7-13,15-17H2,1H3,(H,23,24);1H
InChIKeyVANLBHOBYMRWAN-UHFFFAOYSA-N
MW516.47 g/mol
LogP3.37
Rot. Bonds5

About N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 110054875) has the molecular formula C22H37IN4O2 and a molecular weight of 516.47 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID110054875
Molecular FormulaC22H37IN4O2
Molecular Weight516.47 g/mol
Exact Mass516.20
IUPAC NameN'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCC1CCCCC1N/C(=N/CCc1ccco1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C22H36N4O2.HI/c1-18-5-2-3-7-21(18)24-22(23-10-8-20-6-4-14-28-20)26-11-9-19(17-26)25-12-15-27-16-13-25;/h4,6,14,18-19,21H,2-3,5,7-13,15-17H2,1H3,(H,23,24);1H
InChIKeyVANLBHOBYMRWAN-UHFFFAOYSA-N
XLogP3.37
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
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

N-cyclopentyl-3-(2,5-dihydropyrrol-1-yl)-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide
CID 110056278
N-[2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726239
N-[2-(furan-2-yl)ethyl]-3-morpholin-4-yl-N'-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110054873
N'-[2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 110055435
N'-ethyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727246
2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-enylguanidine;hydroiodide
CID 136922944
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111725936
N-cyclohexyl-N'-[2-(furan-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956337
1-(1-ethylsulfonylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide
CID 110054177
2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine
CID 136921695
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111493547
N'-[2-(furan-2-yl)ethyl]-4-methyl-N-propan-2-ylpiperidine-1-carboximidamide;hydroiodide
CID 119139910

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 110054875) is N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is CC1CCCCC1N/C(=N/CCc1ccco1)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is VANLBHOBYMRWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2.HI/c1-18-5-2-3-7-21(18)24-22(23-10-8-20-6-4-14-28-20)26-11-9-19(17-26)25-12-15-27-16-13-25;/h4,6,14,18-19,21H,2-3,5,7-13,15-17H2,1H3,(H,23,24);1H.
What are the key properties of N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 516.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)ethyl]-N-(2-methylcyclohexyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110054875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).