N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine

C16H28N2O2 — CID 105176094

IUPACN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
SMILESCCNC(COC(C)(C)C)c1cncc(OC(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-7-18-15(11-19-16(4,5)6)13-8-14(10-17-9-13)20-12(2)3/h8-10,12,15,18H,7,11H2,1-6H3
InChIKeyYAFZEHWGDLQTII-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.33
Rot. Bonds7

About N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine

N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine (PubChem CID 105176094) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
PubChem CID105176094
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
SMILESCCNC(COC(C)(C)C)c1cncc(OC(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-7-18-15(11-19-16(4,5)6)13-8-14(10-17-9-13)20-12(2)3/h8-10,12,15,18H,7,11H2,1-6H3
InChIKeyYAFZEHWGDLQTII-UHFFFAOYSA-N
XLogP3.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-amine
CID 105027344
3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105176221
N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
[3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butyl]hydrazine
CID 105220430
2-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)pentan-1-amine
CID 116718083
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 116725313
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
CID 105027295
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105087874
N-[(5-ethylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine (CID 105176094) is N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine.
What is the SMILES notation for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The canonical SMILES for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine is CCNC(COC(C)(C)C)c1cncc(OC(C)C)c1.
What is the InChIKey of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The InChIKey is YAFZEHWGDLQTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-18-15(11-19-16(4,5)6)13-8-14(10-17-9-13)20-12(2)3/h8-10,12,15,18H,7,11H2,1-6H3.
What are the key properties of N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine has a molecular weight of 280.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105176094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).