(2-tert-butyl-6-ethylquinolin-4-yl)methanamine

C16H22N2 — CID 82448309

IUPAC(2-tert-butyl-6-ethylquinolin-4-yl)methanamine
SMILESCCc1ccc2nc(C(C)(C)C)cc(CN)c2c1
InChIInChI=1S/C16H22N2/c1-5-11-6-7-14-13(8-11)12(10-17)9-15(18-14)16(2,3)4/h6-9H,5,10,17H2,1-4H3
InChIKeyLMUSZBQMWRHENU-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.55
Rot. Bonds2

About (2-tert-butyl-6-ethylquinolin-4-yl)methanamine

(2-tert-butyl-6-ethylquinolin-4-yl)methanamine (PubChem CID 82448309) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is (2-tert-butyl-6-ethylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-6-ethylquinolin-4-yl)methanamine
PubChem CID82448309
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name(2-tert-butyl-6-ethylquinolin-4-yl)methanamine
SMILESCCc1ccc2nc(C(C)(C)C)cc(CN)c2c1
InChIInChI=1S/C16H22N2/c1-5-11-6-7-14-13(8-11)12(10-17)9-15(18-14)16(2,3)4/h6-9H,5,10,17H2,1-4H3
InChIKeyLMUSZBQMWRHENU-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.55
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-ethylquinolin-4-yl)methanamine?
The IUPAC name of (2-tert-butyl-6-ethylquinolin-4-yl)methanamine (CID 82448309) is (2-tert-butyl-6-ethylquinolin-4-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-6-ethylquinolin-4-yl)methanamine?
The canonical SMILES for (2-tert-butyl-6-ethylquinolin-4-yl)methanamine is CCc1ccc2nc(C(C)(C)C)cc(CN)c2c1.
What is the InChIKey of (2-tert-butyl-6-ethylquinolin-4-yl)methanamine?
The InChIKey is LMUSZBQMWRHENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-11-6-7-14-13(8-11)12(10-17)9-15(18-14)16(2,3)4/h6-9H,5,10,17H2,1-4H3.
What are the key properties of (2-tert-butyl-6-ethylquinolin-4-yl)methanamine?
(2-tert-butyl-6-ethylquinolin-4-yl)methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-ethylquinolin-4-yl)methanamine is sourced from PubChem (CID 82448309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).