1-cyclohexyl-2-propan-2-ylisoindole

C17H23N — CID 58787443

IUPAC1-cyclohexyl-2-propan-2-ylisoindole
SMILESCC(C)n1cc2ccccc2c1C1CCCCC1
InChIInChI=1S/C17H23N/c1-13(2)18-12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3
InChIKeyBGWPGJTYWZKMRU-UHFFFAOYSA-N
MW241.38 g/mol
LogP5.27
Rot. Bonds2

About 1-cyclohexyl-2-propan-2-ylisoindole

1-cyclohexyl-2-propan-2-ylisoindole (PubChem CID 58787443) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-propan-2-ylisoindole.

Molecular Properties

Compound Name1-cyclohexyl-2-propan-2-ylisoindole
PubChem CID58787443
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-cyclohexyl-2-propan-2-ylisoindole
SMILESCC(C)n1cc2ccccc2c1C1CCCCC1
InChIInChI=1S/C17H23N/c1-13(2)18-12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3
InChIKeyBGWPGJTYWZKMRU-UHFFFAOYSA-N
XLogP5.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-propan-2-ylisoindole?
The IUPAC name of 1-cyclohexyl-2-propan-2-ylisoindole (CID 58787443) is 1-cyclohexyl-2-propan-2-ylisoindole.
What is the SMILES notation for 1-cyclohexyl-2-propan-2-ylisoindole?
The canonical SMILES for 1-cyclohexyl-2-propan-2-ylisoindole is CC(C)n1cc2ccccc2c1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-propan-2-ylisoindole?
The InChIKey is BGWPGJTYWZKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-13(2)18-12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-propan-2-ylisoindole?
1-cyclohexyl-2-propan-2-ylisoindole has a molecular weight of 241.38 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-propan-2-ylisoindole is sourced from PubChem (CID 58787443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).