6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine

C15H23NS — CID 115716161

IUPAC6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC(C)CCNC1CCc2ccc(C)cc21
InChIInChI=1S/C15H23NS/c1-11-4-5-13-6-7-15(14(13)10-11)16-9-8-12(2)17-3/h4-5,10,12,15-16H,6-9H2,1-3H3
InChIKeyRZUVCBLGKSLYBB-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.71
Rot. Bonds5

About 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine

6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115716161) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115716161
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC(C)CCNC1CCc2ccc(C)cc21
InChIInChI=1S/C15H23NS/c1-11-4-5-13-6-7-15(14(13)10-11)16-9-8-12(2)17-3/h4-5,10,12,15-16H,6-9H2,1-3H3
InChIKeyRZUVCBLGKSLYBB-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273
3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785190
3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781987
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113261344
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832
N-butan-2-yl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81334511
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
CID 81343671
N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine
CID 103787790
N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774294
6-methyl-N-(3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 81300726

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine (CID 115716161) is 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine is CSC(C)CCNC1CCc2ccc(C)cc21.
What is the InChIKey of 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RZUVCBLGKSLYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11-4-5-13-6-7-15(14(13)10-11)16-9-8-12(2)17-3/h4-5,10,12,15-16H,6-9H2,1-3H3.
What are the key properties of 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine?
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115716161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).