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

C16H24N2 — CID 84631643

IUPAC2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine
SMILESCn1c(C(C)(C)N)cc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C16H24N2/c1-15(2,3)12-7-8-13-11(9-12)10-14(18(13)6)16(4,5)17/h7-10H,17H2,1-6H3
InChIKeyHLRVYALSPLMIKD-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.67
Rot. Bonds1

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

2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine (PubChem CID 84631643) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine
PubChem CID84631643
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine
SMILESCn1c(C(C)(C)N)cc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C16H24N2/c1-15(2,3)12-7-8-13-11(9-12)10-14(18(13)6)16(4,5)17/h7-10H,17H2,1-6H3
InChIKeyHLRVYALSPLMIKD-UHFFFAOYSA-N
XLogP3.67
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.67
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-2-yl)propan-2-amine?
The IUPAC name of 2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine (CID 84631643) is 2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine?
The canonical SMILES for 2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine is Cn1c(C(C)(C)N)cc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine?
The InChIKey is HLRVYALSPLMIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2,3)12-7-8-13-11(9-12)10-14(18(13)6)16(4,5)17/h7-10H,17H2,1-6H3.
What are the key properties of 2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine?
2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.67, 1 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-2-yl)propan-2-amine is sourced from PubChem (CID 84631643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).