6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one

C11H22N2O2 — CID 23544749

IUPAC6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one
SMILESCCC(=O)C(CCN(C)C)NCC(C)=O
InChIInChI=1S/C11H22N2O2/c1-5-11(15)10(6-7-13(3)4)12-8-9(2)14/h10,12H,5-8H2,1-4H3
InChIKeyXGBANMOLAYRWKE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.46
Rot. Bonds8

About 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one

6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one (PubChem CID 23544749) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one.

Molecular Properties

Compound Name6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one
PubChem CID23544749
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one
SMILESCCC(=O)C(CCN(C)C)NCC(C)=O
InChIInChI=1S/C11H22N2O2/c1-5-11(15)10(6-7-13(3)4)12-8-9(2)14/h10,12H,5-8H2,1-4H3
InChIKeyXGBANMOLAYRWKE-UHFFFAOYSA-N
XLogP0.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one?
The IUPAC name of 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one (CID 23544749) is 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one.
What is the SMILES notation for 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one?
The canonical SMILES for 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one is CCC(=O)C(CCN(C)C)NCC(C)=O.
What is the InChIKey of 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one?
The InChIKey is XGBANMOLAYRWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-11(15)10(6-7-13(3)4)12-8-9(2)14/h10,12H,5-8H2,1-4H3.
What are the key properties of 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one?
6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one has a molecular weight of 214.31 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-(2-oxopropylamino)hexan-3-one is sourced from PubChem (CID 23544749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).