3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole

C23H28N2 — CID 178169617

IUPAC3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2[nH]ccc2c1.Cc1c[nH]c2ccc(C(C)C)cc12
InChIInChI=1S/C12H15N.C11H13N/c1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h4-8,13H,1-3H3;3-8,12H,1-2H3
InChIKeyLKLAKJCYBUHXQL-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.89
Rot. Bonds2

About 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole

3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole (PubChem CID 178169617) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole
PubChem CID178169617
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2[nH]ccc2c1.Cc1c[nH]c2ccc(C(C)C)cc12
InChIInChI=1S/C12H15N.C11H13N/c1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h4-8,13H,1-3H3;3-8,12H,1-2H3
InChIKeyLKLAKJCYBUHXQL-UHFFFAOYSA-N
XLogP6.89
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole?
The IUPAC name of 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole (CID 178169617) is 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole?
The canonical SMILES for 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole is CC(C)c1ccc2[nH]ccc2c1.Cc1c[nH]c2ccc(C(C)C)cc12.
What is the InChIKey of 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole?
The InChIKey is LKLAKJCYBUHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H13N/c1-8(2)10-4-5-12-11(6-10)9(3)7-13-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11/h4-8,13H,1-3H3;3-8,12H,1-2H3.
What are the key properties of 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole?
3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole has a molecular weight of 332.49 g/mol, XLogP of 6.89, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole is sourced from PubChem (CID 178169617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).