5-tert-butyl-5-methyl-1,6-dihydroindole

C13H19N — CID 143722816

IUPAC5-tert-butyl-5-methyl-1,6-dihydroindole
SMILESCC(C)(C)C1(C)C=c2cc[nH]c2=CC1
InChIInChI=1S/C13H19N/c1-12(2,3)13(4)7-5-11-10(9-13)6-8-14-11/h5-6,8-9,14H,7H2,1-4H3
InChIKeyNVWTZABBBAQMQJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.03
Rot. Bonds

About 5-tert-butyl-5-methyl-1,6-dihydroindole

5-tert-butyl-5-methyl-1,6-dihydroindole (PubChem CID 143722816) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-tert-butyl-5-methyl-1,6-dihydroindole.

Molecular Properties

Compound Name5-tert-butyl-5-methyl-1,6-dihydroindole
PubChem CID143722816
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-tert-butyl-5-methyl-1,6-dihydroindole
SMILESCC(C)(C)C1(C)C=c2cc[nH]c2=CC1
InChIInChI=1S/C13H19N/c1-12(2,3)13(4)7-5-11-10(9-13)6-8-14-11/h5-6,8-9,14H,7H2,1-4H3
InChIKeyNVWTZABBBAQMQJ-UHFFFAOYSA-N
XLogP2.03
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-iodo-5-methyl-1,6-dihydroindole
CID 71170652
5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane
CID 143593388
5-tert-butyl-2-iodo-5-methylcyclohexa-1,3-diene
CID 129196618
(3aZ)-7-methyl-1,6,7,8-tetrahydrocycloocta[b]pyrrol-5-one
CID 123772305
7-methyl-1H-cyclohepta[b]pyrrole-7-thiol
CID 144790122
1,5-dihydrocyclohepta[b]pyrrole;ethane;molecular hydrogen
CID 142049480
6-bromo-5,6-dihydro-1H-indole
CID 118899465
3-(3-tert-butyl-6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol
CID 142626294
6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
CID 146409781
2,5-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 134426503
7-tert-butyl-6-methoxy-2H-isoquinolin-1-one
CID 82276331
6,6-dimethyl-1,4,5,7-tetrahydropyrrolo[3,2-c]pyridine
CID 155896448

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-methyl-1,6-dihydroindole?
The IUPAC name of 5-tert-butyl-5-methyl-1,6-dihydroindole (CID 143722816) is 5-tert-butyl-5-methyl-1,6-dihydroindole.
What is the SMILES notation for 5-tert-butyl-5-methyl-1,6-dihydroindole?
The canonical SMILES for 5-tert-butyl-5-methyl-1,6-dihydroindole is CC(C)(C)C1(C)C=c2cc[nH]c2=CC1.
What is the InChIKey of 5-tert-butyl-5-methyl-1,6-dihydroindole?
The InChIKey is NVWTZABBBAQMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-12(2,3)13(4)7-5-11-10(9-13)6-8-14-11/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of 5-tert-butyl-5-methyl-1,6-dihydroindole?
5-tert-butyl-5-methyl-1,6-dihydroindole has a molecular weight of 189.30 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-methyl-1,6-dihydroindole is sourced from PubChem (CID 143722816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).