1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine

C15H24N2O2 — CID 79796421

IUPAC1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CCOCC2)cn1
InChIInChI=1S/C15H24N2O2/c1-2-13(16)9-14-3-4-15(10-17-14)19-11-12-5-7-18-8-6-12/h3-4,10,12-13H,2,5-9,11,16H2,1H3
InChIKeyVVPBMIAHRYOASP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.17
Rot. Bonds6

About 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine

1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine (PubChem CID 79796421) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine
PubChem CID79796421
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCC2CCOCC2)cn1
InChIInChI=1S/C15H24N2O2/c1-2-13(16)9-14-3-4-15(10-17-14)19-11-12-5-7-18-8-6-12/h3-4,10,12-13H,2,5-9,11,16H2,1H3
InChIKeyVVPBMIAHRYOASP-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine (CID 79796421) is 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(OCC2CCOCC2)cn1.
What is the InChIKey of 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine?
The InChIKey is VVPBMIAHRYOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-13(16)9-14-3-4-15(10-17-14)19-11-12-5-7-18-8-6-12/h3-4,10,12-13H,2,5-9,11,16H2,1H3.
What are the key properties of 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine?
1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79796421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).