N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C21H35N5O3 — CID 111728179

IUPACN'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC(c1ccc(C)o1)N1CCOCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C21H35N5O3/c1-17-3-4-20(29-17)19(25-9-13-28-14-10-25)15-23-21(22-2)26-6-5-18(16-26)24-7-11-27-12-8-24/h3-4,18-19H,5-16H2,1-2H3,(H,22,23)
InChIKeyIJODDIBBQRAKEC-UHFFFAOYSA-N
MW405.54 g/mol
LogP0.94
Rot. Bonds5

About N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111728179) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111728179
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC NameN'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC(c1ccc(C)o1)N1CCOCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C21H35N5O3/c1-17-3-4-20(29-17)19(25-9-13-28-14-10-25)15-23-21(22-2)26-6-5-18(16-26)24-7-11-27-12-8-24/h3-4,18-19H,5-16H2,1-2H3,(H,22,23)
InChIKeyIJODDIBBQRAKEC-UHFFFAOYSA-N
XLogP0.94
TPSA65.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N',3-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111143802
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724076
4-ethoxy-N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111958663
3-(2-methoxyethoxymethyl)-N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide
CID 111747967
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206684
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447826
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727784
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726338
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725819
N-[2-(furan-2-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726239
N'-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728613
3-(2-methoxyethoxymethyl)-N'-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745544

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111728179) is N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is C/N=C(/NCC(c1ccc(C)o1)N1CCOCC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is IJODDIBBQRAKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-17-3-4-20(29-17)19(25-9-13-28-14-10-25)15-23-21(22-2)26-6-5-18(16-26)24-7-11-27-12-8-24/h3-4,18-19H,5-16H2,1-2H3,(H,22,23).
What are the key properties of N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 405.54 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111728179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).