3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide

C21H34IN3O2 — CID 111747988

IUPAC3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(c2ccccc2C)CC1)N1CCC(COCCOC)C1.I
InChIInChI=1S/C21H33N3O2.HI/c1-17-6-4-5-7-19(17)21(9-10-21)16-23-20(22-2)24-11-8-18(14-24)15-26-13-12-25-3;/h4-7,18H,8-16H2,1-3H3,(H,22,23);1H
InChIKeyKVMJTSIEDHULPO-UHFFFAOYSA-N
MW487.43 g/mol
LogP3.20
Rot. Bonds8

About 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide

3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111747988) has the molecular formula C21H34IN3O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111747988
Molecular FormulaC21H34IN3O2
Molecular Weight487.43 g/mol
Exact Mass487.17
IUPAC Name3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(c2ccccc2C)CC1)N1CCC(COCCOC)C1.I
InChIInChI=1S/C21H33N3O2.HI/c1-17-6-4-5-7-19(17)21(9-10-21)16-23-20(22-2)24-11-8-18(14-24)15-26-13-12-25-3;/h4-7,18H,8-16H2,1-3H3,(H,22,23);1H
InChIKeyKVMJTSIEDHULPO-UHFFFAOYSA-N
XLogP3.20
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(methoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-1-carboximidamide
CID 111737711
3-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111736022
3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111746502
ethyl 1-[N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994510
N-ethyl-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111746458
N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527517
3-(hydroxymethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 111443978
3-(2-methoxyethoxymethyl)-N'-methyl-N-(4-phenylmethoxybutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748026
3-(2-methoxyethoxymethyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111747201
3-(2-methoxyethoxymethyl)-N'-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745980
3-(2-methoxyethoxymethyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745506
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboximidamide
CID 111746992

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111747988) is 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCC1(c2ccccc2C)CC1)N1CCC(COCCOC)C1.I.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is KVMJTSIEDHULPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.HI/c1-17-6-4-5-7-19(17)21(9-10-21)16-23-20(22-2)24-11-8-18(14-24)15-26-13-12-25-3;/h4-7,18H,8-16H2,1-3H3,(H,22,23);1H.
What are the key properties of 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide?
3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 487.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-N'-methyl-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111747988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).