2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine

C15H26N2S — CID 113466885

IUPAC2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCSC(C)Cn1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C15H26N2S/c1-10-6-12-13(16)7-15(3,4)8-14(12)17(10)9-11(2)18-5/h6,11,13H,7-9,16H2,1-5H3
InChIKeyBCVSUDAHMLDVNA-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.52
Rot. Bonds3

About 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine

2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine (PubChem CID 113466885) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine
PubChem CID113466885
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine
SMILESCSC(C)Cn1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C15H26N2S/c1-10-6-12-13(16)7-15(3,4)8-14(12)17(10)9-11(2)18-5/h6,11,13H,7-9,16H2,1-5H3
InChIKeyBCVSUDAHMLDVNA-UHFFFAOYSA-N
XLogP3.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Indolizine, 5,6,7,8-tetrahydro-3-(3-aminopropyl)-2-methyl-
CID 47677
Indolizine, 5,6,7,8-tetrahydro-3-(3-(ethylamino)propyl)-2-methyl-
CID 47678
2-(4-fluorophenyl)-1-(1-piperidin-3-ylpropyl)-6,7-dihydro-4H-thiopyrano[4,3-b]pyrrole
CID 68139834
Ethane;3-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizin-7-amine
CID 143205823
CID 163784434
CID 163784434
3-Indolizineethanamine, 5,6,7,8-tetrahydro-2-methyl-
CID 51065
6,6-dimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-amine
CID 55176113
1-[(3-Fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 61964993
1-[(3-fluorophenyl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 61964994
1-(3-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 61965179
1-[1-(2-Fluorophenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 61965214
1-[(4-Fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 61965361

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine (CID 113466885) is 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine is CSC(C)Cn1c(C)cc2c1CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine?
The InChIKey is BCVSUDAHMLDVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-10-6-12-13(16)7-15(3,4)8-14(12)17(10)9-11(2)18-5/h6,11,13H,7-9,16H2,1-5H3.
What are the key properties of 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine has a molecular weight of 266.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 113466885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).