N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C19H38N6O — CID 111728063

IUPACN-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCN(C)CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H38N6O/c1-4-20-19(21-15-17(2)23-9-7-22(3)8-10-23)25-6-5-18(16-25)24-11-13-26-14-12-24/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKeyTUQBRNWAFMKKLN-UHFFFAOYSA-N
MW366.55 g/mol
LogP-0.01
Rot. Bonds5

About N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 111728063) has the molecular formula C19H38N6O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID111728063
Molecular FormulaC19H38N6O
Molecular Weight366.55 g/mol
Exact Mass366.31
IUPAC NameN-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCN(C)CC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C19H38N6O/c1-4-20-19(21-15-17(2)23-9-7-22(3)8-10-23)25-6-5-18(16-25)24-11-13-26-14-12-24/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKeyTUQBRNWAFMKKLN-UHFFFAOYSA-N
XLogP-0.01
TPSA46.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728062
N-ethyl-N'-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727978
N-ethyl-3-morpholin-4-yl-N'-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111726513
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725819
N-ethyl-N'-(2-methyl-3-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728332
N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111145731
N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726505
N-ethyl-N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728707
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728468
N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 119142705
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726843
N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111991571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 111728063) is N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is CCN/C(=N\CC(C)N1CCN(C)CC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is TUQBRNWAFMKKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N6O/c1-4-20-19(21-15-17(2)23-9-7-22(3)8-10-23)25-6-5-18(16-25)24-11-13-26-14-12-24/h17-18H,4-16H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 366.55 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111728063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).