1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine

C17H21N3 — CID 106905619

IUPAC1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCCc3ccccc32)n1
InChIInChI=1S/C17H21N3/c1-18-12-15-8-4-9-16(19-15)13-20-11-5-7-14-6-2-3-10-17(14)20/h2-4,6,8-10,18H,5,7,11-13H2,1H3
InChIKeyOJJRPAIEORBGNP-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.75
Rot. Bonds4

About 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine

1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine (PubChem CID 106905619) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
PubChem CID106905619
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCCc3ccccc32)n1
InChIInChI=1S/C17H21N3/c1-18-12-15-8-4-9-16(19-15)13-20-11-5-7-14-6-2-3-10-17(14)20/h2-4,6,8-10,18H,5,7,11-13H2,1H3
InChIKeyOJJRPAIEORBGNP-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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine (CID 106905619) is 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(CN2CCCc3ccccc32)n1.
What is the InChIKey of 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is OJJRPAIEORBGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-18-12-15-8-4-9-16(19-15)13-20-11-5-7-14-6-2-3-10-17(14)20/h2-4,6,8-10,18H,5,7,11-13H2,1H3.
What are the key properties of 1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine?
1-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine 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-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106905619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).