1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine

C17H28N2 — CID 102661900

IUPAC1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCC(C)CCCN1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C17H28N2/c1-13(2)6-4-10-19-11-5-7-16-12-15(14(3)18)8-9-17(16)19/h8-9,12-14H,4-7,10-11,18H2,1-3H3
InChIKeyJRJUILVRSMWVAN-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.90
Rot. Bonds5

About 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine

1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 102661900) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID102661900
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCC(C)CCCN1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C17H28N2/c1-13(2)6-4-10-19-11-5-7-16-12-15(14(3)18)8-9-17(16)19/h8-9,12-14H,4-7,10-11,18H2,1-3H3
InChIKeyJRJUILVRSMWVAN-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
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
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 106449096
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948
6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-amine
CID 106799282
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662004
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102880183

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 102661900) is 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CC(C)CCCN1CCCc2cc(C(C)N)ccc21.
What is the InChIKey of 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is JRJUILVRSMWVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)6-4-10-19-11-5-7-16-12-15(14(3)18)8-9-17(16)19/h8-9,12-14H,4-7,10-11,18H2,1-3H3.
What are the key properties of 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 102661900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).