1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine

C14H21NS — CID 65127704

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NS/c1-2-16-10-14(15)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,14H,2-5,9-10,15H2,1H3
InChIKeyUGTBGSDQQAOFEX-UHFFFAOYSA-N
MW235.40 g/mol
LogP2.80
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine (PubChem CID 65127704) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
PubChem CID65127704
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NS/c1-2-16-10-14(15)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,14H,2-5,9-10,15H2,1H3
InChIKeyUGTBGSDQQAOFEX-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225261
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819994
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
CID 116760450
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
[1-(2,3-dihydro-1H-inden-5-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225635
methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351473
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105152473

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine (CID 65127704) is 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine is CCSCC(N)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine?
The InChIKey is UGTBGSDQQAOFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-16-10-14(15)9-11-6-7-12-4-3-5-13(12)8-11/h6-8,14H,2-5,9-10,15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine has a molecular weight of 235.40 g/mol, XLogP of 2.80, 5 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-yl)-3-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 65127704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).