1-(dimethylamino)propan-2-yl propanoate

C8H17NO2 — CID 14528583

IUPAC1-(dimethylamino)propan-2-yl propanoate
SMILESCCC(=O)OC(C)CN(C)C
InChIInChI=1S/C8H17NO2/c1-5-8(10)11-7(2)6-9(3)4/h7H,5-6H2,1-4H3
InChIKeyGASHIGIPRIAYJI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds4

About 1-(dimethylamino)propan-2-yl propanoate

1-(dimethylamino)propan-2-yl propanoate (PubChem CID 14528583) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-yl propanoate.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-yl propanoate
PubChem CID14528583
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(dimethylamino)propan-2-yl propanoate
SMILESCCC(=O)OC(C)CN(C)C
InChIInChI=1S/C8H17NO2/c1-5-8(10)11-7(2)6-9(3)4/h7H,5-6H2,1-4H3
InChIKeyGASHIGIPRIAYJI-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-yl propanoate?
The IUPAC name of 1-(dimethylamino)propan-2-yl propanoate (CID 14528583) is 1-(dimethylamino)propan-2-yl propanoate.
What is the SMILES notation for 1-(dimethylamino)propan-2-yl propanoate?
The canonical SMILES for 1-(dimethylamino)propan-2-yl propanoate is CCC(=O)OC(C)CN(C)C.
What is the InChIKey of 1-(dimethylamino)propan-2-yl propanoate?
The InChIKey is GASHIGIPRIAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-8(10)11-7(2)6-9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylamino)propan-2-yl propanoate?
1-(dimethylamino)propan-2-yl propanoate has a molecular weight of 159.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-yl propanoate is sourced from PubChem (CID 14528583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).