ethane;1-propan-2-yl-2-pyridin-3-ylindole

C20H28N2 — CID 161108582

IUPACethane;1-propan-2-yl-2-pyridin-3-ylindole
SMILESCC.CC.CC(C)n1c(-c2cccnc2)cc2ccccc21
InChIInChI=1S/C16H16N2.2C2H6/c1-12(2)18-15-8-4-3-6-13(15)10-16(18)14-7-5-9-17-11-14;2*1-2/h3-12H,1-2H3;2*1-2H3
InChIKeyUJJYCAALLFYIFC-UHFFFAOYSA-N
MW296.46 g/mol
LogP6.34
Rot. Bonds2

About ethane;1-propan-2-yl-2-pyridin-3-ylindole

ethane;1-propan-2-yl-2-pyridin-3-ylindole (PubChem CID 161108582) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is ethane;1-propan-2-yl-2-pyridin-3-ylindole.

Molecular Properties

Compound Nameethane;1-propan-2-yl-2-pyridin-3-ylindole
PubChem CID161108582
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Nameethane;1-propan-2-yl-2-pyridin-3-ylindole
SMILESCC.CC.CC(C)n1c(-c2cccnc2)cc2ccccc21
InChIInChI=1S/C16H16N2.2C2H6/c1-12(2)18-15-8-4-3-6-13(15)10-16(18)14-7-5-9-17-11-14;2*1-2/h3-12H,1-2H3;2*1-2H3
InChIKeyUJJYCAALLFYIFC-UHFFFAOYSA-N
XLogP6.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-2-pyridin-3-ylindole?
The IUPAC name of ethane;1-propan-2-yl-2-pyridin-3-ylindole (CID 161108582) is ethane;1-propan-2-yl-2-pyridin-3-ylindole.
What is the SMILES notation for ethane;1-propan-2-yl-2-pyridin-3-ylindole?
The canonical SMILES for ethane;1-propan-2-yl-2-pyridin-3-ylindole is CC.CC.CC(C)n1c(-c2cccnc2)cc2ccccc21.
What is the InChIKey of ethane;1-propan-2-yl-2-pyridin-3-ylindole?
The InChIKey is UJJYCAALLFYIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.2C2H6/c1-12(2)18-15-8-4-3-6-13(15)10-16(18)14-7-5-9-17-11-14;2*1-2/h3-12H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-propan-2-yl-2-pyridin-3-ylindole?
ethane;1-propan-2-yl-2-pyridin-3-ylindole has a molecular weight of 296.46 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-2-pyridin-3-ylindole is sourced from PubChem (CID 161108582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).