1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine

C16H26N2O2 — CID 115939887

IUPAC1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCC2CCCO2)cn1
InChIInChI=1S/C16H26N2O2/c1-3-9-17-15(4-2)16-8-7-13(11-18-16)20-12-14-6-5-10-19-14/h7-8,11,14-15,17H,3-6,9-10,12H2,1-2H3
InChIKeyXHZAUGSNTHHFDF-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.09
Rot. Bonds8

About 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine

1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine (PubChem CID 115939887) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
PubChem CID115939887
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OCC2CCCO2)cn1
InChIInChI=1S/C16H26N2O2/c1-3-9-17-15(4-2)16-8-7-13(11-18-16)20-12-14-6-5-10-19-14/h7-8,11,14-15,17H,3-6,9-10,12H2,1-2H3
InChIKeyXHZAUGSNTHHFDF-UHFFFAOYSA-N
XLogP3.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939352
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
1-(5-cyclopentyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584681
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
CID 112583036
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43279172
1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
CID 115939879
1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43591765
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine (CID 115939887) is 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OCC2CCCO2)cn1.
What is the InChIKey of 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine?
The InChIKey is XHZAUGSNTHHFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-17-15(4-2)16-8-7-13(11-18-16)20-12-14-6-5-10-19-14/h7-8,11,14-15,17H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine?
1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115939887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).