1-(4-aminooxan-4-yl)-4-phenylbutan-1-one

C15H21NO2 — CID 116604543

IUPAC1-(4-aminooxan-4-yl)-4-phenylbutan-1-one
SMILESNC1(C(=O)CCCc2ccccc2)CCOCC1
InChIInChI=1S/C15H21NO2/c16-15(9-11-18-12-10-15)14(17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,16H2
InChIKeyWETYTPCSDJWXGZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.09
Rot. Bonds5

About 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one

1-(4-aminooxan-4-yl)-4-phenylbutan-1-one (PubChem CID 116604543) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-4-phenylbutan-1-one
PubChem CID116604543
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(4-aminooxan-4-yl)-4-phenylbutan-1-one
SMILESNC1(C(=O)CCCc2ccccc2)CCOCC1
InChIInChI=1S/C15H21NO2/c16-15(9-11-18-12-10-15)14(17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,16H2
InChIKeyWETYTPCSDJWXGZ-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one (CID 116604543) is 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one is NC1(C(=O)CCCc2ccccc2)CCOCC1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one?
The InChIKey is WETYTPCSDJWXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-15(9-11-18-12-10-15)14(17)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,16H2.
What are the key properties of 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one?
1-(4-aminooxan-4-yl)-4-phenylbutan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 116604543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).