N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide

C17H31N3O — CID 111735861

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCC1CC2CCC1C2)N1CCC(COC)C1
InChIInChI=1S/C17H31N3O/c1-18-17(20-8-6-14(11-20)12-21-2)19-7-5-16-10-13-3-4-15(16)9-13/h13-16H,3-12H2,1-2H3,(H,18,19)
InChIKeyJLMUVAWYGWXTTD-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 111735861) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID111735861
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCC1CC2CCC1C2)N1CCC(COC)C1
InChIInChI=1S/C17H31N3O/c1-18-17(20-8-6-14(11-20)12-21-2)19-7-5-16-10-13-3-4-15(16)9-13/h13-16H,3-12H2,1-2H3,(H,18,19)
InChIKeyJLMUVAWYGWXTTD-UHFFFAOYSA-N
XLogP2.36
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157139
3-(methoxymethyl)-N'-methyl-N-pentylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737726
N-[2-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111737757
3-(methoxymethyl)-N'-methyl-N-(4-methylpentyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735582
N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735948
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-(azepan-1-yl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737756
3-(methoxymethyl)-N'-methyl-N-(2-methylsulfonylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143393
N-[2-(3,5-dichlorophenyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111735575
3-(methoxymethyl)-N'-methyl-N-(3-octoxypropyl)pyrrolidine-1-carboximidamide
CID 111735103
3-(methoxymethyl)-N'-methyl-N-[3-(2-methylpropoxy)propyl]pyrrolidine-1-carboximidamide
CID 111735431

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide (CID 111735861) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NCCC1CC2CCC1C2)N1CCC(COC)C1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is JLMUVAWYGWXTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-18-17(20-8-6-14(11-20)12-21-2)19-7-5-16-10-13-3-4-15(16)9-13/h13-16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 293.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111735861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).