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

C18H28N2 — CID 84743209

IUPAC2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C(C)C)[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C18H28N2/c1-12(2)17-14(9-10-19-6)15-11-13(18(3,4)5)7-8-16(15)20-17/h7-8,11-12,19-20H,9-10H2,1-6H3
InChIKeyWZCBARGBYBXLRC-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.35
Rot. Bonds4

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

2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine (PubChem CID 84743209) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
PubChem CID84743209
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c(C(C)C)[nH]c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C18H28N2/c1-12(2)17-14(9-10-19-6)15-11-13(18(3,4)5)7-8-16(15)20-17/h7-8,11-12,19-20H,9-10H2,1-6H3
InChIKeyWZCBARGBYBXLRC-UHFFFAOYSA-N
XLogP4.35
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine (CID 84743209) is 2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine is CNCCc1c(C(C)C)[nH]c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is WZCBARGBYBXLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-12(2)17-14(9-10-19-6)15-11-13(18(3,4)5)7-8-16(15)20-17/h7-8,11-12,19-20H,9-10H2,1-6H3.
What are the key properties of 2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine?
2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 272.44 g/mol, XLogP of 4.35, 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-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 84743209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).