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

C16H26N2 — CID 102661907

IUPAC1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCCCCCN1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C16H26N2/c1-3-4-5-10-18-11-6-7-15-12-14(13(2)17)8-9-16(15)18/h8-9,12-13H,3-7,10-11,17H2,1-2H3
InChIKeyHBVGJYZXFHIVSS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.65
Rot. Bonds5

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

1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (PubChem CID 102661907) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
PubChem CID102661907
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
SMILESCCCCCN1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C16H26N2/c1-3-4-5-10-18-11-6-7-15-12-14(13(2)17)8-9-16(15)18/h8-9,12-13H,3-7,10-11,17H2,1-2H3
InChIKeyHBVGJYZXFHIVSS-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661900
1-[1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661895
3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine
CID 102661874
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 106449096
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
1-hexyl-3,4-dihydro-2H-quinolin-6-ol;hydroiodide
CID 13300508
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The IUPAC name of 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine (CID 102661907) is 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine.
What is the SMILES notation for 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The canonical SMILES for 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is CCCCCN1CCCc2cc(C(C)N)ccc21.
What is the InChIKey of 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
The InChIKey is HBVGJYZXFHIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-5-10-18-11-6-7-15-12-14(13(2)17)8-9-16(15)18/h8-9,12-13H,3-7,10-11,17H2,1-2H3.
What are the key properties of 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine?
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine is sourced from PubChem (CID 102661907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).