2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine

C15H24N2 — CID 62425422

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CCCc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-14(12-16-4-2)17-11-7-9-13-8-5-6-10-15(13)17/h5-6,8,10,14,16H,3-4,7,9,11-12H2,1-2H3
InChIKeyYJRMLLADEJRXSB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.83
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine

2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine (PubChem CID 62425422) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
PubChem CID62425422
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CCCc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-14(12-16-4-2)17-11-7-9-13-8-5-6-10-15(13)17/h5-6,8,10,14,16H,3-4,7,9,11-12H2,1-2H3
InChIKeyYJRMLLADEJRXSB-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine (CID 62425422) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine is CCNCC(CC)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine?
The InChIKey is YJRMLLADEJRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-14(12-16-4-2)17-11-7-9-13-8-5-6-10-15(13)17/h5-6,8,10,14,16H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 62425422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).