1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one

C13H25NO2 — CID 116588055

IUPAC1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one
SMILESCCCC(C)CC(=O)C1COCC1NCC
InChIInChI=1S/C13H25NO2/c1-4-6-10(3)7-13(15)11-8-16-9-12(11)14-5-2/h10-12,14H,4-9H2,1-3H3
InChIKeyXSDYLXDFDHCNEB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.01
Rot. Bonds7

About 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one

1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one (PubChem CID 116588055) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one.

Molecular Properties

Compound Name1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one
PubChem CID116588055
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one
SMILESCCCC(C)CC(=O)C1COCC1NCC
InChIInChI=1S/C13H25NO2/c1-4-6-10(3)7-13(15)11-8-16-9-12(11)14-5-2/h10-12,14H,4-9H2,1-3H3
InChIKeyXSDYLXDFDHCNEB-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one?
The IUPAC name of 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one (CID 116588055) is 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one.
What is the SMILES notation for 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one?
The canonical SMILES for 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one is CCCC(C)CC(=O)C1COCC1NCC.
What is the InChIKey of 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one?
The InChIKey is XSDYLXDFDHCNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-10(3)7-13(15)11-8-16-9-12(11)14-5-2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one?
1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)oxolan-3-yl]-3-methylhexan-1-one is sourced from PubChem (CID 116588055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).