2,5,6-tri(propan-2-yl)-1H-indole

C17H25N — CID 134294534

IUPAC2,5,6-tri(propan-2-yl)-1H-indole
SMILESCC(C)c1cc2cc(C(C)C)c(C(C)C)cc2[nH]1
InChIInChI=1S/C17H25N/c1-10(2)14-7-13-8-16(12(5)6)18-17(13)9-15(14)11(3)4/h7-12,18H,1-6H3
InChIKeyNPRSIZYQGKEHTM-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.54
Rot. Bonds3

About 2,5,6-tri(propan-2-yl)-1H-indole

2,5,6-tri(propan-2-yl)-1H-indole (PubChem CID 134294534) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,5,6-tri(propan-2-yl)-1H-indole.

Molecular Properties

Compound Name2,5,6-tri(propan-2-yl)-1H-indole
PubChem CID134294534
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2,5,6-tri(propan-2-yl)-1H-indole
SMILESCC(C)c1cc2cc(C(C)C)c(C(C)C)cc2[nH]1
InChIInChI=1S/C17H25N/c1-10(2)14-7-13-8-16(12(5)6)18-17(13)9-15(14)11(3)4/h7-12,18H,1-6H3
InChIKeyNPRSIZYQGKEHTM-UHFFFAOYSA-N
XLogP5.54
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-tri(propan-2-yl)-1H-indole?
The IUPAC name of 2,5,6-tri(propan-2-yl)-1H-indole (CID 134294534) is 2,5,6-tri(propan-2-yl)-1H-indole.
What is the SMILES notation for 2,5,6-tri(propan-2-yl)-1H-indole?
The canonical SMILES for 2,5,6-tri(propan-2-yl)-1H-indole is CC(C)c1cc2cc(C(C)C)c(C(C)C)cc2[nH]1.
What is the InChIKey of 2,5,6-tri(propan-2-yl)-1H-indole?
The InChIKey is NPRSIZYQGKEHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-10(2)14-7-13-8-16(12(5)6)18-17(13)9-15(14)11(3)4/h7-12,18H,1-6H3.
What are the key properties of 2,5,6-tri(propan-2-yl)-1H-indole?
2,5,6-tri(propan-2-yl)-1H-indole has a molecular weight of 243.39 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-tri(propan-2-yl)-1H-indole is sourced from PubChem (CID 134294534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).