1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine

C15H23NS — CID 114271563

IUPAC1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine
SMILESCC(C)(C)SCCC1(N)CCc2ccccc21
InChIInChI=1S/C15H23NS/c1-14(2,3)17-11-10-15(16)9-8-12-6-4-5-7-13(12)15/h4-7H,8-11,16H2,1-3H3
InChIKeyGTCWDZAFFDIPGD-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.71
Rot. Bonds3

About 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine

1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine (PubChem CID 114271563) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine
PubChem CID114271563
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine
SMILESCC(C)(C)SCCC1(N)CCc2ccccc21
InChIInChI=1S/C15H23NS/c1-14(2,3)17-11-10-15(16)9-8-12-6-4-5-7-13(12)15/h4-7H,8-11,16H2,1-3H3
InChIKeyGTCWDZAFFDIPGD-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroethyl)-2,3-dihydroinden-1-amine
CID 172761296
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 112592209
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 62622359
1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 112749484
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406090
1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 103006983
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 55096011

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine (CID 114271563) is 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine is CC(C)(C)SCCC1(N)CCc2ccccc21.
What is the InChIKey of 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine?
The InChIKey is GTCWDZAFFDIPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-14(2,3)17-11-10-15(16)9-8-12-6-4-5-7-13(12)15/h4-7H,8-11,16H2,1-3H3.
What are the key properties of 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine?
1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 114271563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).