3-(2,2-dimethylhexyl)-3aH-indole

C16H23N — CID 155467875

IUPAC3-(2,2-dimethylhexyl)-3aH-indole
SMILESCCCCC(C)(C)CC1=CN=C2C=CC=CC12
InChIInChI=1S/C16H23N/c1-4-5-10-16(2,3)11-13-12-17-15-9-7-6-8-14(13)15/h6-9,12,14H,4-5,10-11H2,1-3H3
InChIKeyWDFWQMMGNSTPNU-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.67
Rot. Bonds5

About 3-(2,2-dimethylhexyl)-3aH-indole

3-(2,2-dimethylhexyl)-3aH-indole (PubChem CID 155467875) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(2,2-dimethylhexyl)-3aH-indole.

Molecular Properties

Compound Name3-(2,2-dimethylhexyl)-3aH-indole
PubChem CID155467875
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-(2,2-dimethylhexyl)-3aH-indole
SMILESCCCCC(C)(C)CC1=CN=C2C=CC=CC12
InChIInChI=1S/C16H23N/c1-4-5-10-16(2,3)11-13-12-17-15-9-7-6-8-14(13)15/h6-9,12,14H,4-5,10-11H2,1-3H3
InChIKeyWDFWQMMGNSTPNU-UHFFFAOYSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhexyl)-3aH-indole?
The IUPAC name of 3-(2,2-dimethylhexyl)-3aH-indole (CID 155467875) is 3-(2,2-dimethylhexyl)-3aH-indole.
What is the SMILES notation for 3-(2,2-dimethylhexyl)-3aH-indole?
The canonical SMILES for 3-(2,2-dimethylhexyl)-3aH-indole is CCCCC(C)(C)CC1=CN=C2C=CC=CC12.
What is the InChIKey of 3-(2,2-dimethylhexyl)-3aH-indole?
The InChIKey is WDFWQMMGNSTPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-5-10-16(2,3)11-13-12-17-15-9-7-6-8-14(13)15/h6-9,12,14H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(2,2-dimethylhexyl)-3aH-indole?
3-(2,2-dimethylhexyl)-3aH-indole has a molecular weight of 229.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhexyl)-3aH-indole is sourced from PubChem (CID 155467875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).