N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C18H36IN5O2 — CID 111728546

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCCN1CCOC)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C18H35N5O2.HI/c1-19-18(20-14-16-4-3-6-21(16)8-11-24-2)23-7-5-17(15-23)22-9-12-25-13-10-22;/h16-17H,3-15H2,1-2H3,(H,19,20);1H
InChIKeySNXDIKOEPKSADK-UHFFFAOYSA-N
MW481.42 g/mol
LogP0.70
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111728546) has the molecular formula C18H36IN5O2 and a molecular weight of 481.42 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111728546
Molecular FormulaC18H36IN5O2
Molecular Weight481.42 g/mol
Exact Mass481.19
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCCN1CCOC)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C18H35N5O2.HI/c1-19-18(20-14-16-4-3-6-21(16)8-11-24-2)23-7-5-17(15-23)22-9-12-25-13-10-22;/h16-17H,3-15H2,1-2H3,(H,19,20);1H
InChIKeySNXDIKOEPKSADK-UHFFFAOYSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 50.70
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728226
N-(3-methoxypropyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726310
N-(cyclooctylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728150
N-[(1-benzylpiperidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727003
N'-methyl-3-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725842
N'-methyl-3-morpholin-4-yl-N-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142608
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727912
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111748660
tert-butyl 3-[[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111728292
N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726567
N'-methyl-N-[3-(2-methylpropoxy)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726204
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727783

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111728546) is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCC1CCCN1CCOC)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is SNXDIKOEPKSADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O2.HI/c1-19-18(20-14-16-4-3-6-21(16)8-11-24-2)23-7-5-17(15-23)22-9-12-25-13-10-22;/h16-17H,3-15H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 481.42 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111728546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).