4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine

C15H23NS — CID 64705422

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NS/c1-11(16-3)9-12(2)17-15-8-7-13-5-4-6-14(13)10-15/h7-8,10-12,16H,4-6,9H2,1-3H3
InChIKeyAIBJVOBOAJWHTQ-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.65
Rot. Bonds5

About 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine (PubChem CID 64705422) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
PubChem CID64705422
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
SMILESCNC(C)CC(C)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NS/c1-11(16-3)9-12(2)17-15-8-7-13-5-4-6-14(13)10-15/h7-8,10-12,16H,4-6,9H2,1-3H3
InChIKeyAIBJVOBOAJWHTQ-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
CID 55196306
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
CID 64648663
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
CID 165440470
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
CID 64647689
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
CID 64709204
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
CID 64711312
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
N-methyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]propan-2-amine
CID 82540074
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine (CID 64705422) is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine is CNC(C)CC(C)Sc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine?
The InChIKey is AIBJVOBOAJWHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11(16-3)9-12(2)17-15-8-7-13-5-4-6-14(13)10-15/h7-8,10-12,16H,4-6,9H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine?
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine is sourced from PubChem (CID 64705422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).