1-(dimethylamino)-3-propan-2-yloxypropan-2-one

C8H17NO2 — CID 79567997

IUPAC1-(dimethylamino)-3-propan-2-yloxypropan-2-one
SMILESCC(C)OCC(=O)CN(C)C
InChIInChI=1S/C8H17NO2/c1-7(2)11-6-8(10)5-9(3)4/h7H,5-6H2,1-4H3
InChIKeyDXGLSONDZVNZCN-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.54
Rot. Bonds5

About 1-(dimethylamino)-3-propan-2-yloxypropan-2-one

1-(dimethylamino)-3-propan-2-yloxypropan-2-one (PubChem CID 79567997) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(dimethylamino)-3-propan-2-yloxypropan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-propan-2-yloxypropan-2-one
PubChem CID79567997
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(dimethylamino)-3-propan-2-yloxypropan-2-one
SMILESCC(C)OCC(=O)CN(C)C
InChIInChI=1S/C8H17NO2/c1-7(2)11-6-8(10)5-9(3)4/h7H,5-6H2,1-4H3
InChIKeyDXGLSONDZVNZCN-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-propan-2-yloxypropan-2-one?
The IUPAC name of 1-(dimethylamino)-3-propan-2-yloxypropan-2-one (CID 79567997) is 1-(dimethylamino)-3-propan-2-yloxypropan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-propan-2-yloxypropan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-propan-2-yloxypropan-2-one is CC(C)OCC(=O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-propan-2-yloxypropan-2-one?
The InChIKey is DXGLSONDZVNZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)11-6-8(10)5-9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-propan-2-yloxypropan-2-one?
1-(dimethylamino)-3-propan-2-yloxypropan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-propan-2-yloxypropan-2-one is sourced from PubChem (CID 79567997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).