1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole

C16H22N2 — CID 84630526

IUPAC1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole
SMILESCc1cc(C)c2c(c1)c(C)c(C1CCCN1)n2C
InChIInChI=1S/C16H22N2/c1-10-8-11(2)15-13(9-10)12(3)16(18(15)4)14-6-5-7-17-14/h8-9,14,17H,5-7H2,1-4H3
InChIKeyGKCHOMIXYAFONN-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.53
Rot. Bonds1

About 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole

1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole (PubChem CID 84630526) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole
PubChem CID84630526
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole
SMILESCc1cc(C)c2c(c1)c(C)c(C1CCCN1)n2C
InChIInChI=1S/C16H22N2/c1-10-8-11(2)15-13(9-10)12(3)16(18(15)4)14-6-5-7-17-14/h8-9,14,17H,5-7H2,1-4H3
InChIKeyGKCHOMIXYAFONN-UHFFFAOYSA-N
XLogP3.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
CID 84631010
5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole
CID 84632368
7-methoxy-1,4-dimethyl-2-pyrrolidin-2-ylindole
CID 84631565
3,4,6-trimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84625644
5-methoxy-1,7-dimethyl-2-pyrrolidin-2-ylindole
CID 84631519
7-methoxy-1,5-dimethyl-2-pyrrolidin-2-ylindole
CID 84631498
(5R)-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 827442
5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84630290
2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
CID 82049611
ethene;12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 142459024
2-[pyrrolidin-2-yl-(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 170905811
1,2,4,6-tetramethyl-3-(pyrrolidin-2-ylmethyl)indole
CID 84636277

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole?
The IUPAC name of 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole (CID 84630526) is 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole.
What is the SMILES notation for 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole?
The canonical SMILES for 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole is Cc1cc(C)c2c(c1)c(C)c(C1CCCN1)n2C.
What is the InChIKey of 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole?
The InChIKey is GKCHOMIXYAFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-8-11(2)15-13(9-10)12(3)16(18(15)4)14-6-5-7-17-14/h8-9,14,17H,5-7H2,1-4H3.
What are the key properties of 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole?
1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole has a molecular weight of 242.37 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-2-pyrrolidin-2-ylindole is sourced from PubChem (CID 84630526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).