1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole

C17H24N2 — CID 84636277

IUPAC1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole
SMILESCc1cc(C)c2c(CC3CCCN3)c(C)n(C)c2c1
InChIInChI=1S/C17H24N2/c1-11-8-12(2)17-15(10-14-6-5-7-18-14)13(3)19(4)16(17)9-11/h8-9,14,18H,5-7,10H2,1-4H3
InChIKeyYCMWFVFNRRNLDF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.40
Rot. Bonds2

About 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole

1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole (PubChem CID 84636277) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole.

Molecular Properties

Compound Name1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole
PubChem CID84636277
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole
SMILESCc1cc(C)c2c(CC3CCCN3)c(C)n(C)c2c1
InChIInChI=1S/C17H24N2/c1-11-8-12(2)17-15(10-14-6-5-7-18-14)13(3)19(4)16(17)9-11/h8-9,14,18H,5-7,10H2,1-4H3
InChIKeyYCMWFVFNRRNLDF-UHFFFAOYSA-N
XLogP3.40
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
2,3,5-trimethyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117118250
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 83858076
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
4-bromo-3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 84812962
2-[(2-bromo-3,6-dimethylphenyl)methyl]pyrrolidine
CID 84808311
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
CID 102820009
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
2-[(3-bromo-5-fluoro-2,6-dimethylphenyl)methyl]pyrrolidine
CID 84813703
2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
CID 84630578

Frequently Asked Questions

What is the IUPAC name of 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole?
The IUPAC name of 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole (CID 84636277) is 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole.
What is the SMILES notation for 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole?
The canonical SMILES for 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole is Cc1cc(C)c2c(CC3CCCN3)c(C)n(C)c2c1.
What is the InChIKey of 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole?
The InChIKey is YCMWFVFNRRNLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11-8-12(2)17-15(10-14-6-5-7-18-14)13(3)19(4)16(17)9-11/h8-9,14,18H,5-7,10H2,1-4H3.
What are the key properties of 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole?
1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole has a molecular weight of 256.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole is sourced from PubChem (CID 84636277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).