3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide

C18H37N3O — CID 111735829

IUPAC3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide
SMILESCCCCCCCC(C)CN/C(=N\C)N1CCC(COC)C1
InChIInChI=1S/C18H37N3O/c1-5-6-7-8-9-10-16(2)13-20-18(19-3)21-12-11-17(14-21)15-22-4/h16-17H,5-15H2,1-4H3,(H,19,20)
InChIKeyJCJQUODEFMTJJQ-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.53
Rot. Bonds10

About 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide

3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide (PubChem CID 111735829) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide
PubChem CID111735829
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide
SMILESCCCCCCCC(C)CN/C(=N\C)N1CCC(COC)C1
InChIInChI=1S/C18H37N3O/c1-5-6-7-8-9-10-16(2)13-20-18(19-3)21-12-11-17(14-21)15-22-4/h16-17H,5-15H2,1-4H3,(H,19,20)
InChIKeyJCJQUODEFMTJJQ-UHFFFAOYSA-N
XLogP3.53
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

3-(methoxymethyl)-N'-methyl-N-pentylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737726
3-(methoxymethyl)-N'-methyl-N-(3-octoxypropyl)pyrrolidine-1-carboximidamide
CID 111735103
3-(methoxymethyl)-N'-methyl-N-(4-methylpentyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735582
3-(methoxymethyl)-N'-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-1-carboximidamide
CID 111735431
N-[2-[di(propan-2-yl)amino]ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737403
N-amino-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735948
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735460
3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111998274
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111736721
N-[4-(4-ethylpiperazin-1-yl)butyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737112
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737757

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide (CID 111735829) is 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide is CCCCCCCC(C)CN/C(=N\C)N1CCC(COC)C1.
What is the InChIKey of 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide?
The InChIKey is JCJQUODEFMTJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O/c1-5-6-7-8-9-10-16(2)13-20-18(19-3)21-12-11-17(14-21)15-22-4/h16-17H,5-15H2,1-4H3,(H,19,20).
What are the key properties of 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide?
3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide has a molecular weight of 311.51 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N'-methyl-N-(2-methylnonyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111735829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).