ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole

C15H27N — CID 161239828

IUPACethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
SMILESCC.CC.CC(C)c1ccc2c(c1)CNC2
InChIInChI=1S/C11H15N.2C2H6/c1-8(2)9-3-4-10-6-12-7-11(10)5-9;2*1-2/h3-5,8,12H,6-7H2,1-2H3;2*1-2H3
InChIKeyUZVTVEUKXBSWRU-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.47
Rot. Bonds1

About ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole

ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole (PubChem CID 161239828) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Nameethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
PubChem CID161239828
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;5-propan-2-yl-2,3-dihydro-1H-isoindole
SMILESCC.CC.CC(C)c1ccc2c(c1)CNC2
InChIInChI=1S/C11H15N.2C2H6/c1-8(2)9-3-4-10-6-12-7-11(10)5-9;2*1-2/h3-5,8,12H,6-7H2,1-2H3;2*1-2H3
InChIKeyUZVTVEUKXBSWRU-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole?
The IUPAC name of ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole (CID 161239828) is ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole?
The canonical SMILES for ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole is CC.CC.CC(C)c1ccc2c(c1)CNC2.
What is the InChIKey of ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole?
The InChIKey is UZVTVEUKXBSWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-8(2)9-3-4-10-6-12-7-11(10)5-9;2*1-2/h3-5,8,12H,6-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole?
ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole has a molecular weight of 221.39 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 161239828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).