1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine

C14H22N2S — CID 113473939

IUPAC1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine
SMILESCCSCCCN1CC(N)Cc2ccccc21
InChIInChI=1S/C14H22N2S/c1-2-17-9-5-8-16-11-13(15)10-12-6-3-4-7-14(12)16/h3-4,6-7,13H,2,5,8-11,15H2,1H3
InChIKeyPEWBEHQQPSHSNX-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.52
Rot. Bonds5

About 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine

1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 113473939) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine
PubChem CID113473939
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine
SMILESCCSCCCN1CC(N)Cc2ccccc21
InChIInChI=1S/C14H22N2S/c1-2-17-9-5-8-16-11-13(15)10-12-6-3-4-7-14(12)16/h3-4,6-7,13H,2,5,8-11,15H2,1H3
InChIKeyPEWBEHQQPSHSNX-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine (CID 113473939) is 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine is CCSCCCN1CC(N)Cc2ccccc21.
What is the InChIKey of 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is PEWBEHQQPSHSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-17-9-5-8-16-11-13(15)10-12-6-3-4-7-14(12)16/h3-4,6-7,13H,2,5,8-11,15H2,1H3.
What are the key properties of 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine?
1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropyl)-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 113473939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).