1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine

C18H23N3 — CID 102880183

IUPAC1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCc1cncc(CN2CCCc3cc(C(C)N)ccc32)c1
InChIInChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-3-4-17-9-16(14(2)19)5-6-18(17)21/h5-6,8-11,14H,3-4,7,12,19H2,1-2H3
InChIKeyLLIKSDXCMQZXDC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.36
Rot. Bonds3

About 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine

1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 102880183) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID102880183
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCc1cncc(CN2CCCc3cc(C(C)N)ccc32)c1
InChIInChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-3-4-17-9-16(14(2)19)5-6-18(17)21/h5-6,8-11,14H,3-4,7,12,19H2,1-2H3
InChIKeyLLIKSDXCMQZXDC-UHFFFAOYSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102880182
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
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
3-[6-(1-aminoethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethylpropan-1-amine
CID 102661874
1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661613
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-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661581
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661459

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 102880183) is 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is Cc1cncc(CN2CCCc3cc(C(C)N)ccc32)c1.
What is the InChIKey of 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is LLIKSDXCMQZXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-8-15(11-20-10-13)12-21-7-3-4-17-9-16(14(2)19)5-6-18(17)21/h5-6,8-11,14H,3-4,7,12,19H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 102880183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).