2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine

C16H24N2 — CID 90244443

IUPAC2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C16H24N2/c1-16(2,3)14-6-7-15-13(12-14)8-9-18(15)11-10-17(4)5/h6-9,12H,10-11H2,1-5H3
InChIKeyLLEXSKNNOHEBDS-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.50
Rot. Bonds3

About 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine

2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine (PubChem CID 90244443) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
PubChem CID90244443
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C16H24N2/c1-16(2,3)14-6-7-15-13(12-14)8-9-18(15)11-10-17(4)5/h6-9,12H,10-11H2,1-5H3
InChIKeyLLEXSKNNOHEBDS-UHFFFAOYSA-N
XLogP3.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine (CID 90244443) is 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine is CN(C)CCn1ccc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine?
The InChIKey is LLEXSKNNOHEBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2,3)14-6-7-15-13(12-14)8-9-18(15)11-10-17(4)5/h6-9,12H,10-11H2,1-5H3.
What are the key properties of 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine?
2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylindol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 90244443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).