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

C17H27NS — CID 64648659

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NS/c1-3-6-16(18-11-4-2)13-19-17-10-9-14-7-5-8-15(14)12-17/h9-10,12,16,18H,3-8,11,13H2,1-2H3
InChIKeyCEUYAXRHQRHCJB-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.44
Rot. Bonds8

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

1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine (PubChem CID 64648659) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
PubChem CID64648659
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NS/c1-3-6-16(18-11-4-2)13-19-17-10-9-14-7-5-8-15(14)12-17/h9-10,12,16,18H,3-8,11,13H2,1-2H3
InChIKeyCEUYAXRHQRHCJB-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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
CID 64648095
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
CID 64647689
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
CID 106808314
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethylpentan-2-amine
CID 115480401
N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
CID 55196306
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine (CID 64648659) is 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine is CCCNC(CCC)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine?
The InChIKey is CEUYAXRHQRHCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-6-16(18-11-4-2)13-19-17-10-9-14-7-5-8-15(14)12-17/h9-10,12,16,18H,3-8,11,13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine?
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-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 1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64648659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).