(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone

C12H16N2O2 — CID 116604510

IUPAC(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2(N)CCOCC2)cn1
InChIInChI=1S/C12H16N2O2/c1-9-2-3-10(8-14-9)11(15)12(13)4-6-16-7-5-12/h2-3,8H,4-7,13H2,1H3
InChIKeyPIXDTONUVWZRNU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.08
Rot. Bonds2

About (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone

(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 116604510) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID116604510
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2(N)CCOCC2)cn1
InChIInChI=1S/C12H16N2O2/c1-9-2-3-10(8-14-9)11(15)12(13)4-6-16-7-5-12/h2-3,8H,4-7,13H2,1H3
InChIKeyPIXDTONUVWZRNU-UHFFFAOYSA-N
XLogP1.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone (CID 116604510) is (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)C2(N)CCOCC2)cn1.
What is the InChIKey of (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is PIXDTONUVWZRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-2-3-10(8-14-9)11(15)12(13)4-6-16-7-5-12/h2-3,8H,4-7,13H2,1H3.
What are the key properties of (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone?
(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 220.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116604510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).