1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine

C22H27NO — CID 4198010

IUPAC1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine
SMILESCN1CCCC1CCOC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H27NO/c1-23-15-6-9-19(23)14-16-24-22-20-10-4-2-7-17(20)12-13-18-8-3-5-11-21(18)22/h2-5,7-8,10-11,19,22H,6,9,12-16H2,1H3
InChIKeyWDWDXUWXPSODKZ-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.38
Rot. Bonds4

About 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine

1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine (PubChem CID 4198010) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine
PubChem CID4198010
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine
SMILESCN1CCCC1CCOC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H27NO/c1-23-15-6-9-19(23)14-16-24-22-20-10-4-2-7-17(20)12-13-18-8-3-5-11-21(18)22/h2-5,7-8,10-11,19,22H,6,9,12-16H2,1H3
InChIKeyWDWDXUWXPSODKZ-UHFFFAOYSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 59423288
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-(2-cyclopentyloxyethyl)-1-methylpiperidine
CID 23339262
(1-methylpiperidin-2-yl)methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 5146689
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione
CID 23964124
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
N-[4-[2-(1-methylpiperidin-2-yl)ethoxy]cyclohexylidene]hydroxylamine
CID 107912587
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 107912816

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine?
The IUPAC name of 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine (CID 4198010) is 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine?
The canonical SMILES for 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine is CN1CCCC1CCOC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine?
The InChIKey is WDWDXUWXPSODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-23-15-6-9-19(23)14-16-24-22-20-10-4-2-7-17(20)12-13-18-8-3-5-11-21(18)22/h2-5,7-8,10-11,19,22H,6,9,12-16H2,1H3.
What are the key properties of 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine?
1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine has a molecular weight of 321.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]pyrrolidine is sourced from PubChem (CID 4198010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).