2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine

C16H24N2 — CID 10490521

IUPAC2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N2/c1-16(2,3)13-6-7-15-14(10-13)12(11-17-15)8-9-18(4)5/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyHDRWZHXQBFCRDG-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.57
Rot. Bonds3

About 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine

2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 10490521) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID10490521
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N2/c1-16(2,3)13-6-7-15-14(10-13)12(11-17-15)8-9-18(4)5/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyHDRWZHXQBFCRDG-UHFFFAOYSA-N
XLogP3.57
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine (CID 10490521) is 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is HDRWZHXQBFCRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2,3)13-6-7-15-14(10-13)12(11-17-15)8-9-18(4)5/h6-7,10-11,17H,8-9H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 10490521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).