6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine

C17H27NS — CID 106808314

IUPAC6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NS/c1-3-16(18-4-2)9-6-12-19-17-11-10-14-7-5-8-15(14)13-17/h10-11,13,16,18H,3-9,12H2,1-2H3
InChIKeyNUSPWSMEXRJGNE-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.44
Rot. Bonds8

About 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine (PubChem CID 106808314) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
PubChem CID106808314
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NS/c1-3-16(18-4-2)9-6-12-19-17-11-10-14-7-5-8-15(14)13-17/h10-11,13,16,18H,3-9,12H2,1-2H3
InChIKeyNUSPWSMEXRJGNE-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorobutylsulfanyl)-2,3-dihydro-1H-indene
CID 63499850
1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105152368
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)hexan-3-one
CID 104623542
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
6-(2,5-dimethylphenyl)sulfanyl-N-ethylhexan-3-amine
CID 106808303
N-ethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-2-amine
CID 62038734
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106810962
ethyl 2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanoate
CID 63034861

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine (CID 106808314) is 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine is CCNC(CC)CCCSc1ccc2c(c1)CCC2.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine?
The InChIKey is NUSPWSMEXRJGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-16(18-4-2)9-6-12-19-17-11-10-14-7-5-8-15(14)13-17/h10-11,13,16,18H,3-9,12H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine?
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine has a molecular weight of 277.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine is sourced from PubChem (CID 106808314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).