1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine

C17H24N2 — CID 82448573

IUPAC1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)nc2c(C)cc(C)cc12
InChIInChI=1S/C17H24N2/c1-11-7-12(2)16-14(8-11)13(10-18-6)9-15(19-16)17(3,4)5/h7-9,18H,10H2,1-6H3
InChIKeyNMMWEBWQZLBIQT-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.87
Rot. Bonds2

About 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine

1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine (PubChem CID 82448573) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine
PubChem CID82448573
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)nc2c(C)cc(C)cc12
InChIInChI=1S/C17H24N2/c1-11-7-12(2)16-14(8-11)13(10-18-6)9-15(19-16)17(3,4)5/h7-9,18H,10H2,1-6H3
InChIKeyNMMWEBWQZLBIQT-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine (CID 82448573) is 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine is CNCc1cc(C(C)(C)C)nc2c(C)cc(C)cc12.
What is the InChIKey of 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine?
The InChIKey is NMMWEBWQZLBIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11-7-12(2)16-14(8-11)13(10-18-6)9-15(19-16)17(3,4)5/h7-9,18H,10H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine?
1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine has a molecular weight of 256.39 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 82448573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).