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

C19H32N2 — CID 102662070

IUPACN-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCCCCCCN1CCCc2cc(C(C)NCC)ccc21
InChIInChI=1S/C19H32N2/c1-4-6-7-8-13-21-14-9-10-18-15-17(11-12-19(18)21)16(3)20-5-2/h11-12,15-16,20H,4-10,13-14H2,1-3H3
InChIKeySJMNPVNHYQLMBF-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.69
Rot. Bonds8

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

N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (PubChem CID 102662070) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
PubChem CID102662070
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCCCCCCN1CCCc2cc(C(C)NCC)ccc21
InChIInChI=1S/C19H32N2/c1-4-6-7-8-13-21-14-9-10-18-15-17(11-12-19(18)21)16(3)20-5-2/h11-12,15-16,20H,4-10,13-14H2,1-3H3
InChIKeySJMNPVNHYQLMBF-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.69
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-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
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
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
CID 13300508
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (CID 102662070) is N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is CCCCCCN1CCCc2cc(C(C)NCC)ccc21.
What is the InChIKey of N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The InChIKey is SJMNPVNHYQLMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-7-8-13-21-14-9-10-18-15-17(11-12-19(18)21)16(3)20-5-2/h11-12,15-16,20H,4-10,13-14H2,1-3H3.
What are the key properties of N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is sourced from PubChem (CID 102662070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).