N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

C20H41IN4O — CID 111737302

IUPACN'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CC(C)CC(C)C1)N1CCC(COC)C1.I
InChIInChI=1S/C20H40N4O.HI/c1-7-21-19(23-9-8-18(13-23)14-25-6)22-15-20(4,5)24-11-16(2)10-17(3)12-24;/h16-18H,7-15H2,1-6H3,(H,21,22);1H
InChIKeySOMUYVSFLCAHKT-UHFFFAOYSA-N
MW480.48 g/mol
LogP3.29
Rot. Bonds6

About N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide

N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111737302) has the molecular formula C20H41IN4O and a molecular weight of 480.48 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111737302
Molecular FormulaC20H41IN4O
Molecular Weight480.48 g/mol
Exact Mass480.23
IUPAC NameN'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CC(C)CC(C)C1)N1CCC(COC)C1.I
InChIInChI=1S/C20H40N4O.HI/c1-7-21-19(23-9-8-18(13-23)14-25-6)22-15-20(4,5)24-11-16(2)10-17(3)12-24;/h16-18H,7-15H2,1-6H3,(H,21,22);1H
InChIKeySOMUYVSFLCAHKT-UHFFFAOYSA-N
XLogP3.29
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111736523
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
N-ethyl-3-(methoxymethyl)-N'-[(2-methylcyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143385
N-ethyl-3-(methoxymethyl)-N'-prop-2-ynylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143443
N-ethyl-N'-[2-(4-methoxypiperidin-1-yl)-2-methylpropyl]-3-methylpiperidine-1-carboximidamide
CID 119155651
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735228
N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735216
2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111737204
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111745729
N'-[3-(3,5-dimethylpiperidin-1-yl)propyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111745831
N-ethyl-3-(methoxymethyl)-N'-(3-phenoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735262
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111737302) is N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)(C)N1CC(C)CC(C)C1)N1CCC(COC)C1.I.
What is the InChIKey of N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is SOMUYVSFLCAHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O.HI/c1-7-21-19(23-9-8-18(13-23)14-25-6)22-15-20(4,5)24-11-16(2)10-17(3)12-24;/h16-18H,7-15H2,1-6H3,(H,21,22);1H.
What are the key properties of N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 480.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111737302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).