N,2-diethyl-3,6,8-trimethylquinolin-4-amine

C16H22N2 — CID 55220908

IUPACN,2-diethyl-3,6,8-trimethylquinolin-4-amine
SMILESCCNc1c(C)c(CC)nc2c(C)cc(C)cc12
InChIInChI=1S/C16H22N2/c1-6-14-12(5)16(17-7-2)13-9-10(3)8-11(4)15(13)18-14/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyCATDDVOGHADKGF-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.15
Rot. Bonds3

About N,2-diethyl-3,6,8-trimethylquinolin-4-amine

N,2-diethyl-3,6,8-trimethylquinolin-4-amine (PubChem CID 55220908) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N,2-diethyl-3,6,8-trimethylquinolin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-3,6,8-trimethylquinolin-4-amine
PubChem CID55220908
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN,2-diethyl-3,6,8-trimethylquinolin-4-amine
SMILESCCNc1c(C)c(CC)nc2c(C)cc(C)cc12
InChIInChI=1S/C16H22N2/c1-6-14-12(5)16(17-7-2)13-9-10(3)8-11(4)15(13)18-14/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyCATDDVOGHADKGF-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3,6,8-trimethylquinolin-4-amine?
The IUPAC name of N,2-diethyl-3,6,8-trimethylquinolin-4-amine (CID 55220908) is N,2-diethyl-3,6,8-trimethylquinolin-4-amine.
What is the SMILES notation for N,2-diethyl-3,6,8-trimethylquinolin-4-amine?
The canonical SMILES for N,2-diethyl-3,6,8-trimethylquinolin-4-amine is CCNc1c(C)c(CC)nc2c(C)cc(C)cc12.
What is the InChIKey of N,2-diethyl-3,6,8-trimethylquinolin-4-amine?
The InChIKey is CATDDVOGHADKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-6-14-12(5)16(17-7-2)13-9-10(3)8-11(4)15(13)18-14/h8-9H,6-7H2,1-5H3,(H,17,18).
What are the key properties of N,2-diethyl-3,6,8-trimethylquinolin-4-amine?
N,2-diethyl-3,6,8-trimethylquinolin-4-amine has a molecular weight of 242.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-3,6,8-trimethylquinolin-4-amine is sourced from PubChem (CID 55220908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).