N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C17H35IN4O2 — CID 111726204

IUPACN'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCOCC(C)C)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C17H34N4O2.HI/c1-15(2)14-23-10-4-6-19-17(18-3)21-7-5-16(13-21)20-8-11-22-12-9-20;/h15-16H,4-14H2,1-3H3,(H,18,19);1H
InChIKeyFJLBYEIYPLQUEZ-UHFFFAOYSA-N
MW454.40 g/mol
LogP1.65
Rot. Bonds7

About N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111726204) has the molecular formula C17H35IN4O2 and a molecular weight of 454.40 g/mol. Its IUPAC name is N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111726204
Molecular FormulaC17H35IN4O2
Molecular Weight454.40 g/mol
Exact Mass454.18
IUPAC NameN'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCOCC(C)C)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C17H34N4O2.HI/c1-15(2)14-23-10-4-6-19-17(18-3)21-7-5-16(13-21)20-8-11-22-12-9-20;/h15-16H,4-14H2,1-3H3,(H,18,19);1H
InChIKeyFJLBYEIYPLQUEZ-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methoxypropyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726310
N'-methyl-N-(4-methylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726361
N'-methyl-3-morpholin-4-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726744
N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726567
N'-methyl-3-morpholin-4-yl-N-(3-phenoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111726296
N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725748
N'-methyl-3-morpholin-4-yl-N-(2-phenoxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111727060
3-(methoxymethyl)-N'-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-1-carboximidamide
CID 111735431
ethyl 4-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]butanoate
CID 111727507
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727784
N-(cyclooctylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728150
2,2-dimethyl-N-[2-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111726284

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111726204) is N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCOCC(C)C)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is FJLBYEIYPLQUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2.HI/c1-15(2)14-23-10-4-6-19-17(18-3)21-7-5-16(13-21)20-8-11-22-12-9-20;/h15-16H,4-14H2,1-3H3,(H,18,19);1H.
What are the key properties of N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 454.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111726204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).