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

C18H23N3 — CID 62279125

IUPACN-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCCc2cc(C)ccc21
InChIInChI=1S/C18H23N3/c1-3-19-13-16-6-4-10-20-18(16)21-11-5-7-15-12-14(2)8-9-17(15)21/h4,6,8-10,12,19H,3,5,7,11,13H2,1-2H3
InChIKeyLKVAZZKCVKHHJA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.58
Rot. Bonds4

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

N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 62279125) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID62279125
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCCc2cc(C)ccc21
InChIInChI=1S/C18H23N3/c1-3-19-13-16-6-4-10-20-18(16)21-11-5-7-15-12-14(2)8-9-17(15)21/h4,6,8-10,12,19H,3,5,7,11,13H2,1-2H3
InChIKeyLKVAZZKCVKHHJA-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 62279125) is N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1N1CCCc2cc(C)ccc21.
What is the InChIKey of N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is LKVAZZKCVKHHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-19-13-16-6-4-10-20-18(16)21-11-5-7-15-12-14(2)8-9-17(15)21/h4,6,8-10,12,19H,3,5,7,11,13H2,1-2H3.
What are the key properties of N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62279125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).