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

C17H34IN5O — CID 111728226

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN1CCCC1CN/C(=N\C)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C17H33N5O.HI/c1-3-20-7-4-5-15(20)13-19-17(18-2)22-8-6-16(14-22)21-9-11-23-12-10-21;/h15-16H,3-14H2,1-2H3,(H,18,19);1H
InChIKeyKHDWNXDBKQOEGI-UHFFFAOYSA-N
MW451.40 g/mol
LogP1.07
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111728226) has the molecular formula C17H34IN5O and a molecular weight of 451.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111728226
Molecular FormulaC17H34IN5O
Molecular Weight451.40 g/mol
Exact Mass451.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN1CCCC1CN/C(=N\C)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C17H33N5O.HI/c1-3-20-7-4-5-15(20)13-19-17(18-2)22-8-6-16(14-22)21-9-11-23-12-10-21;/h15-16H,3-14H2,1-2H3,(H,18,19);1H
InChIKeyKHDWNXDBKQOEGI-UHFFFAOYSA-N
XLogP1.07
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 51.07
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-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728546
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-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142608
N'-methyl-3-morpholin-4-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725842
N-butyl-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726567
N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727783
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727912
N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 119142787
tert-butyl 3-[[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111728292
N-(3-methoxypropyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726310
N'-methyl-N-(2-methylcyclopropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726217

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 111728226) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is CCN1CCCC1CN/C(=N\C)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is KHDWNXDBKQOEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O.HI/c1-3-20-7-4-5-15(20)13-19-17(18-2)22-8-6-16(14-22)21-9-11-23-12-10-21;/h15-16H,3-14H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 451.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111728226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).