2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one

C13H23NO2 — CID 62613039

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one
SMILESCCN(CC1CCCO1)CC1CCCC1=O
InChIInChI=1S/C13H23NO2/c1-2-14(10-12-6-4-8-16-12)9-11-5-3-7-13(11)15/h11-12H,2-10H2,1H3
InChIKeyUWOJJYUNABYUCX-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds5

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one (PubChem CID 62613039) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one
PubChem CID62613039
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one
SMILESCCN(CC1CCCO1)CC1CCCC1=O
InChIInChI=1S/C13H23NO2/c1-2-14(10-12-6-4-8-16-12)9-11-5-3-7-13(11)15/h11-12H,2-10H2,1H3
InChIKeyUWOJJYUNABYUCX-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one (CID 62613039) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one is CCN(CC1CCCO1)CC1CCCC1=O.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one?
The InChIKey is UWOJJYUNABYUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-14(10-12-6-4-8-16-12)9-11-5-3-7-13(11)15/h11-12H,2-10H2,1H3.
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one is sourced from PubChem (CID 62613039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).