1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine

C13H20N2S — CID 115777493

IUPAC1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESCSCCCN1CCCc2c(N)cccc21
InChIInChI=1S/C13H20N2S/c1-16-10-4-9-15-8-3-5-11-12(14)6-2-7-13(11)15/h2,6-7H,3-5,8-10,14H2,1H3
InChIKeyLROWRJFRBNDQQD-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.77
Rot. Bonds4

About 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine

1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 115777493) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
PubChem CID115777493
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESCSCCCN1CCCc2c(N)cccc21
InChIInChI=1S/C13H20N2S/c1-16-10-4-9-15-8-3-5-11-12(14)6-2-7-13(11)15/h2,6-7H,3-5,8-10,14H2,1H3
InChIKeyLROWRJFRBNDQQD-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 54881503
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine
CID 61491630
3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
CID 60972396
1-(3-fluoropropyl)-2,3-dihydroindol-4-amine
CID 81106114
2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
CID 114266629
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 55108301
1-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-ol
CID 65212762
1-methyl-2,3,4,5-tetrahydro-1-benzazepin-6-amine
CID 83852967
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine;hydrochloride
CID 120897129
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine (CID 115777493) is 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine is CSCCCN1CCCc2c(N)cccc21.
What is the InChIKey of 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is LROWRJFRBNDQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-16-10-4-9-15-8-3-5-11-12(14)6-2-7-13(11)15/h2,6-7H,3-5,8-10,14H2,1H3.
What are the key properties of 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine?
1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 236.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 115777493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).