2-(4,4-dimethylhexylidene)-1,3-dihydroindole

C16H23N — CID 70445126

IUPAC2-(4,4-dimethylhexylidene)-1,3-dihydroindole
SMILESCCC(C)(C)CCC=C1Cc2ccccc2N1
InChIInChI=1S/C16H23N/c1-4-16(2,3)11-7-9-14-12-13-8-5-6-10-15(13)17-14/h5-6,8-10,17H,4,7,11-12H2,1-3H3
InChIKeyFRKIHSDUWPRDKZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.75
Rot. Bonds4

About 2-(4,4-dimethylhexylidene)-1,3-dihydroindole

2-(4,4-dimethylhexylidene)-1,3-dihydroindole (PubChem CID 70445126) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(4,4-dimethylhexylidene)-1,3-dihydroindole.

Molecular Properties

Compound Name2-(4,4-dimethylhexylidene)-1,3-dihydroindole
PubChem CID70445126
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(4,4-dimethylhexylidene)-1,3-dihydroindole
SMILESCCC(C)(C)CCC=C1Cc2ccccc2N1
InChIInChI=1S/C16H23N/c1-4-16(2,3)11-7-9-14-12-13-8-5-6-10-15(13)17-14/h5-6,8-10,17H,4,7,11-12H2,1-3H3
InChIKeyFRKIHSDUWPRDKZ-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4,4-dimethylhexylidene)-1,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;2,3-dimethyl-1,4-dihydroquinoline
CID 91462835
9,10-dihydroacridine
CID 137366999
ethane;2-ethenyl-3-ethyl-1,4-dihydroquinoline
CID 143087120
ethane;2-methylidene-1,3-dihydroindole
CID 91594681
1,3-dihydroindol-2-one;ethane
CID 54350510
2-(2,2-dimethylbutyl)-1,3-dihydroisoindole
CID 167187659
4,9-dihydro-2H-pyrrolo[3,4-b]quinoline
CID 91500858
2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119199666
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
5,7,12,14-tetrahydroquinolino[3,2-b]acridine
CID 158918196
(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
3-methyl-9,10-dihydroacridine
CID 15076518

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylhexylidene)-1,3-dihydroindole?
The IUPAC name of 2-(4,4-dimethylhexylidene)-1,3-dihydroindole (CID 70445126) is 2-(4,4-dimethylhexylidene)-1,3-dihydroindole.
What is the SMILES notation for 2-(4,4-dimethylhexylidene)-1,3-dihydroindole?
The canonical SMILES for 2-(4,4-dimethylhexylidene)-1,3-dihydroindole is CCC(C)(C)CCC=C1Cc2ccccc2N1.
What is the InChIKey of 2-(4,4-dimethylhexylidene)-1,3-dihydroindole?
The InChIKey is FRKIHSDUWPRDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-16(2,3)11-7-9-14-12-13-8-5-6-10-15(13)17-14/h5-6,8-10,17H,4,7,11-12H2,1-3H3.
What are the key properties of 2-(4,4-dimethylhexylidene)-1,3-dihydroindole?
2-(4,4-dimethylhexylidene)-1,3-dihydroindole has a molecular weight of 229.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylhexylidene)-1,3-dihydroindole is sourced from PubChem (CID 70445126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).