1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine

C13H20N2O2 — CID 112584869

IUPAC1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C13H20N2O2/c1-2-12(14)13-4-3-11(9-15-13)17-10-5-7-16-8-6-10/h3-4,9-10,12H,2,5-8,14H2,1H3
InChIKeyUPLSYVPOTLZFDT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.05
Rot. Bonds4

About 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine

1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine (PubChem CID 112584869) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine
PubChem CID112584869
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C13H20N2O2/c1-2-12(14)13-4-3-11(9-15-13)17-10-5-7-16-8-6-10/h3-4,9-10,12H,2,5-8,14H2,1H3
InChIKeyUPLSYVPOTLZFDT-UHFFFAOYSA-N
XLogP2.05
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]propan-1-amine
CID 113355176
1-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]propan-1-amine
CID 112584872
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867
1-[5-(cyclopentylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584937
(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[5-(oxan-4-yloxy)-2-pyridinyl]ethanol
CID 59446314
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
1-[5-(oxolan-3-yloxy)-2-pyridinyl]propan-2-amine
CID 79800705
(1R)-1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 104893945
1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
CID 112584679
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine (CID 112584869) is 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(OC2CCOCC2)cn1.
What is the InChIKey of 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine?
The InChIKey is UPLSYVPOTLZFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-12(14)13-4-3-11(9-15-13)17-10-5-7-16-8-6-10/h3-4,9-10,12H,2,5-8,14H2,1H3.
What are the key properties of 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine?
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine has a molecular weight of 236.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112584869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).