N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine

C16H28N2O2 — CID 106667487

IUPACN-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(CC)nc(OCCC(C)(C)OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-14-10-13(12-17-7-2)11-15(18-14)20-9-8-16(3,4)19-5/h10-11,17H,6-9,12H2,1-5H3
InChIKeyUXUQVLCJAGGTAL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.95
Rot. Bonds9

About N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine

N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 106667487) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID106667487
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(CC)nc(OCCC(C)(C)OC)c1
InChIInChI=1S/C16H28N2O2/c1-6-14-10-13(12-17-7-2)11-15(18-14)20-9-8-16(3,4)19-5/h10-11,17H,6-9,12H2,1-5H3
InChIKeyUXUQVLCJAGGTAL-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine
CID 106667444
N-[[2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 104566462
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine
CID 114157939
N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740671
N-ethyl-6-(3-methoxy-3-methylbutoxy)-2-propan-2-ylpyrimidin-4-amine
CID 106669036
[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine
CID 106667369
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
CID 106669067
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205411
N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine
CID 106205435
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)-3-methylphenyl]methyl]ethanamine
CID 103032918

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine (CID 106667487) is N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1cc(CC)nc(OCCC(C)(C)OC)c1.
What is the InChIKey of N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is UXUQVLCJAGGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-14-10-13(12-17-7-2)11-15(18-14)20-9-8-16(3,4)19-5/h10-11,17H,6-9,12H2,1-5H3.
What are the key properties of N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106667487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).