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

C17H21N3 — CID 81249502

IUPAC[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
SMILESCc1ccc2c(c1)CCCN2c1cc(C)ncc1CN
InChIInChI=1S/C17H21N3/c1-12-5-6-16-14(8-12)4-3-7-20(16)17-9-13(2)19-11-15(17)10-18/h5-6,8-9,11H,3-4,7,10,18H2,1-2H3
InChIKeyBKKAGBGLRHLWKW-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.24
Rot. Bonds2

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

[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine (PubChem CID 81249502) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
PubChem CID81249502
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
SMILESCc1ccc2c(c1)CCCN2c1cc(C)ncc1CN
InChIInChI=1S/C17H21N3/c1-12-5-6-16-14(8-12)4-3-7-20(16)17-9-13(2)19-11-15(17)10-18/h5-6,8-9,11H,3-4,7,10,18H2,1-2H3
InChIKeyBKKAGBGLRHLWKW-UHFFFAOYSA-N
XLogP3.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine (CID 81249502) is [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine is Cc1ccc2c(c1)CCCN2c1cc(C)ncc1CN.
What is the InChIKey of [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is BKKAGBGLRHLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-5-6-16-14(8-12)4-3-7-20(16)17-9-13(2)19-11-15(17)10-18/h5-6,8-9,11H,3-4,7,10,18H2,1-2H3.
What are the key properties of [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine?
[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81249502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).