3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole

C15H23N — CID 106985792

IUPAC3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1cc(C)c2c(c1)C(CC(C)(C)C)CN2
InChIInChI=1S/C15H23N/c1-10-6-11(2)14-13(7-10)12(9-16-14)8-15(3,4)5/h6-7,12,16H,8-9H2,1-5H3
InChIKeyVUUKPFCJBBHXKB-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.25
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole

3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole (PubChem CID 106985792) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole
PubChem CID106985792
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole
SMILESCc1cc(C)c2c(c1)C(CC(C)(C)C)CN2
InChIInChI=1S/C15H23N/c1-10-6-11(2)14-13(7-10)12(9-16-14)8-15(3,4)5/h6-7,12,16H,8-9H2,1-5H3
InChIKeyVUUKPFCJBBHXKB-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole (CID 106985792) is 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole is Cc1cc(C)c2c(c1)C(CC(C)(C)C)CN2.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is VUUKPFCJBBHXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-6-11(2)14-13(7-10)12(9-16-14)8-15(3,4)5/h6-7,12,16H,8-9H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole?
3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 217.36 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5,7-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).