[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone

C13H23NO2 — CID 79067927

IUPAC[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone
SMILESCN(C)C1(C(=O)C2CCOCC2)CCCC1
InChIInChI=1S/C13H23NO2/c1-14(2)13(7-3-4-8-13)12(15)11-5-9-16-10-6-11/h11H,3-10H2,1-2H3
InChIKeyUIXBMEFRVIFJGP-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone

[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone (PubChem CID 79067927) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone
PubChem CID79067927
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone
SMILESCN(C)C1(C(=O)C2CCOCC2)CCCC1
InChIInChI=1S/C13H23NO2/c1-14(2)13(7-3-4-8-13)12(15)11-5-9-16-10-6-11/h11H,3-10H2,1-2H3
InChIKeyUIXBMEFRVIFJGP-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone (CID 79067927) is [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone is CN(C)C1(C(=O)C2CCOCC2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone?
The InChIKey is UIXBMEFRVIFJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(2)13(7-3-4-8-13)12(15)11-5-9-16-10-6-11/h11H,3-10H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone?
[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone is sourced from PubChem (CID 79067927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).