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

C15H27NO2 — CID 79070861

IUPAC[1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone
SMILESCCN(CC)C1(C(=O)C2CCOCC2)CCCC1
InChIInChI=1S/C15H27NO2/c1-3-16(4-2)15(9-5-6-10-15)14(17)13-7-11-18-12-8-13/h13H,3-12H2,1-2H3
InChIKeyWJHVQTOTRGETEQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.64
Rot. Bonds5

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

[1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone (PubChem CID 79070861) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone
PubChem CID79070861
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone
SMILESCCN(CC)C1(C(=O)C2CCOCC2)CCCC1
InChIInChI=1S/C15H27NO2/c1-3-16(4-2)15(9-5-6-10-15)14(17)13-7-11-18-12-8-13/h13H,3-12H2,1-2H3
InChIKeyWJHVQTOTRGETEQ-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone?
The IUPAC name of [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone (CID 79070861) is [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone.
What is the SMILES notation for [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone?
The canonical SMILES for [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone is CCN(CC)C1(C(=O)C2CCOCC2)CCCC1.
What is the InChIKey of [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone?
The InChIKey is WJHVQTOTRGETEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-16(4-2)15(9-5-6-10-15)14(17)13-7-11-18-12-8-13/h13H,3-12H2,1-2H3.
What are the key properties of [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone?
[1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone is sourced from PubChem (CID 79070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).