2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium

C14H22N+ — CID 59449433

IUPAC2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium
SMILESCCC[NH+]1c2ccccc2C(C)(C)C1C
InChIInChI=1S/C14H21N/c1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15/h6-9,11H,5,10H2,1-4H3/p+1
InChIKeyUOUGJZPSXIGOIY-UHFFFAOYSA-O
MW204.34 g/mol
LogP2.29
Rot. Bonds2

About 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium

2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium (PubChem CID 59449433) has the molecular formula C14H22N+ and a molecular weight of 204.34 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium.

Molecular Properties

Compound Name2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium
PubChem CID59449433
Molecular FormulaC14H22N+
Molecular Weight204.34 g/mol
Exact Mass204.17
IUPAC Name2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium
SMILESCCC[NH+]1c2ccccc2C(C)(C)C1C
InChIInChI=1S/C14H21N/c1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15/h6-9,11H,5,10H2,1-4H3/p+1
InChIKeyUOUGJZPSXIGOIY-UHFFFAOYSA-O
XLogP2.29
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium 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

4-chlorobenzenesulfonate;2,3,3-trimethyl-1-tetradecyl-1,2-dihydroindol-1-ium
CID 87662565
2-butylselanyl-1,1,3,3-tetramethyl-2H-indene
CID 13212210
9-methyl-9-propylfluorene
CID 13283188
4-ethyl-3,5,5-trimethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782316
1,4-dimethylnaphthalene-1,4-diol
CID 14120481
1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
CID 18728941
2-(1-bromoethyl)-1,1,3,3-tetramethyl-2H-indene
CID 159411000
(2R)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
CID 177097652
2,3,3-trimethyl-1,2-dihydroindole
CID 10942760
(15-ethyl-8-trimethylsilyl-15-aluminatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaen-1-yl)-trimethylsilane
CID 16699411
2,2,3,3-tetramethyl-1-propyl-1H-indene
CID 54246995
3,4,5,5-tetramethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782356

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium?
The IUPAC name of 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium (CID 59449433) is 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium.
What is the SMILES notation for 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium?
The canonical SMILES for 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium is CCC[NH+]1c2ccccc2C(C)(C)C1C.
What is the InChIKey of 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium?
The InChIKey is UOUGJZPSXIGOIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N/c1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15/h6-9,11H,5,10H2,1-4H3/p+1.
What are the key properties of 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium?
2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium has a molecular weight of 204.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-propyl-1,2-dihydroindol-1-ium is sourced from PubChem (CID 59449433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).