N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine

C15H24N2O2S — CID 102661391

IUPACN-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-4-9-16-12(2)13-7-8-15-14(11-13)6-5-10-17(15)20(3,18)19/h7-8,11-12,16H,4-6,9-10H2,1-3H3
InChIKeyCHQUAXGKVLMTJD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.46
Rot. Bonds5

About N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine

N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine (PubChem CID 102661391) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
PubChem CID102661391
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-4-9-16-12(2)13-7-8-15-14(11-13)6-5-10-17(15)20(3,18)19/h7-8,11-12,16H,4-6,9-10H2,1-3H3
InChIKeyCHQUAXGKVLMTJD-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102661838
2-[6-[1-(propylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 102662122
5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
CID 102661387
N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine
CID 107899433
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623286
6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 166559541
1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661429
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 7635711
N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102662677
2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661865
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623287

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine (CID 102661391) is N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine is CCCNC(C)c1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine?
The InChIKey is CHQUAXGKVLMTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-9-16-12(2)13-7-8-15-14(11-13)6-5-10-17(15)20(3,18)19/h7-8,11-12,16H,4-6,9-10H2,1-3H3.
What are the key properties of N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine?
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102661391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).