3-(2,2-dimethylpropyl)-6-methyl-1H-indole

C14H19N — CID 129190941

IUPAC3-(2,2-dimethylpropyl)-6-methyl-1H-indole
SMILESCc1ccc2c(CC(C)(C)C)c[nH]c2c1
InChIInChI=1S/C14H19N/c1-10-5-6-12-11(8-14(2,3)4)9-15-13(12)7-10/h5-7,9,15H,8H2,1-4H3
InChIKeyOWLDSVVFKKIFRN-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.06
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-6-methyl-1H-indole

3-(2,2-dimethylpropyl)-6-methyl-1H-indole (PubChem CID 129190941) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-6-methyl-1H-indole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-6-methyl-1H-indole
PubChem CID129190941
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-(2,2-dimethylpropyl)-6-methyl-1H-indole
SMILESCc1ccc2c(CC(C)(C)C)c[nH]c2c1
InChIInChI=1S/C14H19N/c1-10-5-6-12-11(8-14(2,3)4)9-15-13(12)7-10/h5-7,9,15H,8H2,1-4H3
InChIKeyOWLDSVVFKKIFRN-UHFFFAOYSA-N
XLogP4.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119110585
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride
CID 175085793
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
1-(6-bromo-1H-indol-3-yl)-2-methylpropan-2-ol
CID 84712066
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
1-tert-butyl-3-ethyl-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110965711
6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117185650

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-6-methyl-1H-indole?
The IUPAC name of 3-(2,2-dimethylpropyl)-6-methyl-1H-indole (CID 129190941) is 3-(2,2-dimethylpropyl)-6-methyl-1H-indole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-6-methyl-1H-indole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-6-methyl-1H-indole is Cc1ccc2c(CC(C)(C)C)c[nH]c2c1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-6-methyl-1H-indole?
The InChIKey is OWLDSVVFKKIFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-5-6-12-11(8-14(2,3)4)9-15-13(12)7-10/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-6-methyl-1H-indole?
3-(2,2-dimethylpropyl)-6-methyl-1H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-6-methyl-1H-indole is sourced from PubChem (CID 129190941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).