2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one

C15H29NO2 — CID 79053141

IUPAC2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one
SMILESCCN(CC)C(C)(C)C(=O)CCCC1CCCO1
InChIInChI=1S/C15H29NO2/c1-5-16(6-2)15(3,4)14(17)11-7-9-13-10-8-12-18-13/h13H,5-12H2,1-4H3
InChIKeyOTOZCJSILUIVEO-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.03
Rot. Bonds8

About 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one

2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one (PubChem CID 79053141) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one
PubChem CID79053141
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one
SMILESCCN(CC)C(C)(C)C(=O)CCCC1CCCO1
InChIInChI=1S/C15H29NO2/c1-5-16(6-2)15(3,4)14(17)11-7-9-13-10-8-12-18-13/h13H,5-12H2,1-4H3
InChIKeyOTOZCJSILUIVEO-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one?
The IUPAC name of 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one (CID 79053141) is 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one is CCN(CC)C(C)(C)C(=O)CCCC1CCCO1.
What is the InChIKey of 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one?
The InChIKey is OTOZCJSILUIVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-16(6-2)15(3,4)14(17)11-7-9-13-10-8-12-18-13/h13H,5-12H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one?
2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one has a molecular weight of 255.40 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-6-(oxolan-2-yl)hexan-3-one is sourced from PubChem (CID 79053141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).