1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine

C17H21N3 — CID 62066674

IUPAC1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCN1CCCc2cc(CNCc3cccnc3)ccc21
InChIInChI=1S/C17H21N3/c1-20-9-3-5-16-10-14(6-7-17(16)20)11-19-13-15-4-2-8-18-12-15/h2,4,6-8,10,12,19H,3,5,9,11,13H2,1H3
InChIKeyDJPWQCUSWHFHRK-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.75
Rot. Bonds4

About 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 62066674) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID62066674
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCN1CCCc2cc(CNCc3cccnc3)ccc21
InChIInChI=1S/C17H21N3/c1-20-9-3-5-16-10-14(6-7-17(16)20)11-19-13-15-4-2-8-18-12-15/h2,4,6-8,10,12,19H,3,5,9,11,13H2,1H3
InChIKeyDJPWQCUSWHFHRK-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine (CID 62066674) is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine is CN1CCCc2cc(CNCc3cccnc3)ccc21.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is DJPWQCUSWHFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-20-9-3-5-16-10-14(6-7-17(16)20)11-19-13-15-4-2-8-18-12-15/h2,4,6-8,10,12,19H,3,5,9,11,13H2,1H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine?
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 267.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 62066674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).