(2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine

C16H22N2 — CID 82448590

IUPAC(2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine
SMILESCc1cc(C)c2nc(C(C)(C)C)cc(CN)c2c1
InChIInChI=1S/C16H22N2/c1-10-6-11(2)15-13(7-10)12(9-17)8-14(18-15)16(3,4)5/h6-8H,9,17H2,1-5H3
InChIKeyDZZLGPPKTOCRSW-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.61
Rot. Bonds1

About (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine

(2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine (PubChem CID 82448590) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine
PubChem CID82448590
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine
SMILESCc1cc(C)c2nc(C(C)(C)C)cc(CN)c2c1
InChIInChI=1S/C16H22N2/c1-10-6-11(2)15-13(7-10)12(9-17)8-14(18-15)16(3,4)5/h6-8H,9,17H2,1-5H3
InChIKeyDZZLGPPKTOCRSW-UHFFFAOYSA-N
XLogP3.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine?
The IUPAC name of (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine (CID 82448590) is (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine?
The canonical SMILES for (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine is Cc1cc(C)c2nc(C(C)(C)C)cc(CN)c2c1.
What is the InChIKey of (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine?
The InChIKey is DZZLGPPKTOCRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-6-11(2)15-13(7-10)12(9-17)8-14(18-15)16(3,4)5/h6-8H,9,17H2,1-5H3.
What are the key properties of (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine?
(2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6,8-dimethylquinolin-4-yl)methanamine is sourced from PubChem (CID 82448590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).