2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole

C17H24N2 — CID 21448689

IUPAC2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole
SMILESCC(C)c1cc2ccccc2n1C(C)N1CCCC1
InChIInChI=1S/C17H24N2/c1-13(2)17-12-15-8-4-5-9-16(15)19(17)14(3)18-10-6-7-11-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3
InChIKeyOFSLMJPDPOETGK-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.38
Rot. Bonds3

About 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole

2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole (PubChem CID 21448689) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole.

Molecular Properties

Compound Name2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole
PubChem CID21448689
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole
SMILESCC(C)c1cc2ccccc2n1C(C)N1CCCC1
InChIInChI=1S/C17H24N2/c1-13(2)17-12-15-8-4-5-9-16(15)19(17)14(3)18-10-6-7-11-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3
InChIKeyOFSLMJPDPOETGK-UHFFFAOYSA-N
XLogP4.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1-propan-2-ylindol-2-yl)methanethiol
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tert-butyl 2-propan-2-ylindole-1-carboxylate
CID 71120624
benzene;ethane;bis(2-methylpropane);naphthalene
CID 159562136
2-(1-hydroxypyridin-1-ium-3-yl)-1-propan-2-ylindole
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole?
The IUPAC name of 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole (CID 21448689) is 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole.
What is the SMILES notation for 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole?
The canonical SMILES for 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole is CC(C)c1cc2ccccc2n1C(C)N1CCCC1.
What is the InChIKey of 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole?
The InChIKey is OFSLMJPDPOETGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)17-12-15-8-4-5-9-16(15)19(17)14(3)18-10-6-7-11-18/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3.
What are the key properties of 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole?
2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole has a molecular weight of 256.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole is sourced from PubChem (CID 21448689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).