N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine

C18H30N2 — CID 102662084

IUPACN-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCCCCCN1CCCc2cc(C(C)NCC)ccc21
InChIInChI=1S/C18H30N2/c1-4-6-7-12-20-13-8-9-17-14-16(10-11-18(17)20)15(3)19-5-2/h10-11,14-15,19H,4-9,12-13H2,1-3H3
InChIKeyGZSCUNHNWGNPMY-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.30
Rot. Bonds7

About N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine

N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (PubChem CID 102662084) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
PubChem CID102662084
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCCCCCN1CCCc2cc(C(C)NCC)ccc21
InChIInChI=1S/C18H30N2/c1-4-6-7-12-20-13-8-9-17-14-16(10-11-18(17)20)15(3)19-5-2/h10-11,14-15,19H,4-9,12-13H2,1-3H3
InChIKeyGZSCUNHNWGNPMY-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
4-[6-[1-(ethylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
CID 102662106
N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662108
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
N-ethyl-1-[1-(3-fluoropropyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661804
2-[6-[1-(propylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 102662122
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751
5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
CID 102661847
N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662076
1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662004
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]-2,3-dihydroindol-5-yl]ethanamine
CID 106449089
N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine
CID 107899433

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (CID 102662084) is N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is CCCCCN1CCCc2cc(C(C)NCC)ccc21.
What is the InChIKey of N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The InChIKey is GZSCUNHNWGNPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-6-7-12-20-13-8-9-17-14-16(10-11-18(17)20)15(3)19-5-2/h10-11,14-15,19H,4-9,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is sourced from PubChem (CID 102662084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).