2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine

C16H24N2 — CID 82497727

IUPAC2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine
SMILESCC(CN)c1cn(C)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N2/c1-11(9-17)14-10-18(5)15-7-6-12(8-13(14)15)16(2,3)4/h6-8,10-11H,9,17H2,1-5H3
InChIKeyBBQWAQMROQIYMZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.54
Rot. Bonds2

About 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine

2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine (PubChem CID 82497727) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine
PubChem CID82497727
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine
SMILESCC(CN)c1cn(C)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N2/c1-11(9-17)14-10-18(5)15-7-6-12(8-13(14)15)16(2,3)4/h6-8,10-11H,9,17H2,1-5H3
InChIKeyBBQWAQMROQIYMZ-UHFFFAOYSA-N
XLogP3.54
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine (CID 82497727) is 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine is CC(CN)c1cn(C)c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine?
The InChIKey is BBQWAQMROQIYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11(9-17)14-10-18(5)15-7-6-12(8-13(14)15)16(2,3)4/h6-8,10-11H,9,17H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine?
2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82497727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).