1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine

C15H24N2O2 — CID 62382206

IUPAC1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
SMILESCCC(N)C(OCC1CCOCC1)c1ccncc1
InChIInChI=1S/C15H24N2O2/c1-2-14(16)15(13-3-7-17-8-4-13)19-11-12-5-9-18-10-6-12/h3-4,7-8,12,14-15H,2,5-6,9-11,16H2,1H3
InChIKeyWANNWQWIKVEDJP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.30
Rot. Bonds6

About 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine

1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine (PubChem CID 62382206) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
PubChem CID62382206
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
SMILESCCC(N)C(OCC1CCOCC1)c1ccncc1
InChIInChI=1S/C15H24N2O2/c1-2-14(16)15(13-3-7-17-8-4-13)19-11-12-5-9-18-10-6-12/h3-4,7-8,12,14-15H,2,5-6,9-11,16H2,1H3
InChIKeyWANNWQWIKVEDJP-UHFFFAOYSA-N
XLogP2.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine (CID 62382206) is 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine is CCC(N)C(OCC1CCOCC1)c1ccncc1.
What is the InChIKey of 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine?
The InChIKey is WANNWQWIKVEDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-14(16)15(13-3-7-17-8-4-13)19-11-12-5-9-18-10-6-12/h3-4,7-8,12,14-15H,2,5-6,9-11,16H2,1H3.
What are the key properties of 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine?
1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 62382206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).