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

C16H24N2 — CID 96674958

IUPAC2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
SMILESCCNCCc1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N2/c1-5-17-9-8-12-11-18-15-7-6-13(10-14(12)15)16(2,3)4/h6-7,10-11,17-18H,5,8-9H2,1-4H3
InChIKeyVYTKOXXWVMDLLX-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.62
Rot. Bonds4

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

2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine (PubChem CID 96674958) 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-ethylethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
PubChem CID96674958
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
SMILESCCNCCc1c[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N2/c1-5-17-9-8-12-11-18-15-7-6-13(10-14(12)15)16(2,3)4/h6-7,10-11,17-18H,5,8-9H2,1-4H3
InChIKeyVYTKOXXWVMDLLX-UHFFFAOYSA-N
XLogP3.62
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
2-(5-ethoxy-1H-indol-3-yl)-N-ethylethanamine
CID 98783922
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
3,3,3-trifluoro-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 172624961
3-propyl-1H-indol-5-ol
CID 15366338
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
CID 106985157
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119110585
2-methyl-1-[5-(trifluoromethyl)-1H-indol-3-yl]propan-2-ol
CID 117195432

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine (CID 96674958) is 2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine is CCNCCc1c[nH]c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine?
The InChIKey is VYTKOXXWVMDLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-17-9-8-12-11-18-15-7-6-13(10-14(12)15)16(2,3)4/h6-7,10-11,17-18H,5,8-9H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine?
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 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-ethylethanamine is sourced from PubChem (CID 96674958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).