3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine

C16H27N3 — CID 102661874

IUPAC3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCC(N)c1ccc2c(c1)CCCN2CCCN(C)C
InChIInChI=1S/C16H27N3/c1-13(17)14-7-8-16-15(12-14)6-4-10-19(16)11-5-9-18(2)3/h7-8,12-13H,4-6,9-11,17H2,1-3H3
InChIKeyBRLSSZZDLSBEJB-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.41
Rot. Bonds5

About 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine

3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 102661874) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID102661874
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine
SMILESCC(N)c1ccc2c(c1)CCCN2CCCN(C)C
InChIInChI=1S/C16H27N3/c1-13(17)14-7-8-16-15(12-14)6-4-10-19(16)11-5-9-18(2)3/h7-8,12-13H,4-6,9-11,17H2,1-3H3
InChIKeyBRLSSZZDLSBEJB-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
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
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
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
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 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine (CID 102661874) is 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine is CC(N)c1ccc2c(c1)CCCN2CCCN(C)C.
What is the InChIKey of 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is BRLSSZZDLSBEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(17)14-7-8-16-15(12-14)6-4-10-19(16)11-5-9-18(2)3/h7-8,12-13H,4-6,9-11,17H2,1-3H3.
What are the key properties of 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine?
3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 102661874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).