1-(2,2-dimethylbutyl)-2,3-dihydroindole

C14H21N — CID 167187652

IUPAC1-(2,2-dimethylbutyl)-2,3-dihydroindole
SMILESCCC(C)(C)CN1CCc2ccccc21
InChIInChI=1S/C14H21N/c1-4-14(2,3)11-15-10-9-12-7-5-6-8-13(12)15/h5-8H,4,9-11H2,1-3H3
InChIKeyUZLXMSDWIGGDBM-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.49
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-2,3-dihydroindole

1-(2,2-dimethylbutyl)-2,3-dihydroindole (PubChem CID 167187652) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-2,3-dihydroindole
PubChem CID167187652
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(2,2-dimethylbutyl)-2,3-dihydroindole
SMILESCCC(C)(C)CN1CCc2ccccc21
InChIInChI=1S/C14H21N/c1-4-14(2,3)11-15-10-9-12-7-5-6-8-13(12)15/h5-8H,4,9-11H2,1-3H3
InChIKeyUZLXMSDWIGGDBM-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydroindol-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62834088
2-(2,3-dihydroindol-1-ylmethyl)-N,2-dimethylbutan-1-amine
CID 62262026
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
CID 62277118
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
CID 82116491
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methylbutanal
CID 55050873
1-butyl-2,3-dihydroindole
CID 4167209
1-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpropan-2-amine
CID 62846942
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
2-(2,2-dimethylbutyl)-1,3-dihydroisoindole
CID 167187659
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-2,3-dihydroindole?
The IUPAC name of 1-(2,2-dimethylbutyl)-2,3-dihydroindole (CID 167187652) is 1-(2,2-dimethylbutyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-2,3-dihydroindole?
The canonical SMILES for 1-(2,2-dimethylbutyl)-2,3-dihydroindole is CCC(C)(C)CN1CCc2ccccc21.
What is the InChIKey of 1-(2,2-dimethylbutyl)-2,3-dihydroindole?
The InChIKey is UZLXMSDWIGGDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-14(2,3)11-15-10-9-12-7-5-6-8-13(12)15/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylbutyl)-2,3-dihydroindole?
1-(2,2-dimethylbutyl)-2,3-dihydroindole has a molecular weight of 203.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-2,3-dihydroindole is sourced from PubChem (CID 167187652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).