1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine

C17H21N3 — CID 124890461

IUPAC1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCN1C[C@@H](CNCc2ccncc2)Cc2ccccc21
InChIInChI=1S/C17H21N3/c1-20-13-15(10-16-4-2-3-5-17(16)20)12-19-11-14-6-8-18-9-7-14/h2-9,15,19H,10-13H2,1H3/t15-/m1/s1
InChIKeyULGXUEXHBQJTPF-OAHLLOKOSA-N
MW267.38 g/mol
LogP2.48
Rot. Bonds4

About 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine

1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 124890461) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID124890461
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESCN1C[C@@H](CNCc2ccncc2)Cc2ccccc21
InChIInChI=1S/C17H21N3/c1-20-13-15(10-16-4-2-3-5-17(16)20)12-19-11-14-6-8-18-9-7-14/h2-9,15,19H,10-13H2,1H3/t15-/m1/s1
InChIKeyULGXUEXHBQJTPF-OAHLLOKOSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)propan-1-ol
CID 3590448
ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 142002286
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095506
1-methyl-3-pentyl-3,4-dihydro-2H-quinoline
CID 176730393
1-(3-chlorocyclobutyl)-N-(pyridin-4-ylmethyl)methanamine
CID 66006072
N-[[5-[(pyridin-4-ylmethylamino)methyl]oxan-3-yl]methyl]ethanamine
CID 121358962
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
tert-butyl (3S)-3-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 10493804
3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline
CID 160890314
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine (CID 124890461) is 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine is CN1C[C@@H](CNCc2ccncc2)Cc2ccccc21.
What is the InChIKey of 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is ULGXUEXHBQJTPF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3/c1-20-13-15(10-16-4-2-3-5-17(16)20)12-19-11-14-6-8-18-9-7-14/h2-9,15,19H,10-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine?
1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 267.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 124890461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).