3-(dimethylamino)propyl acetate

C7H15NO2 — CID 547119

IUPAC3-(dimethylamino)propyl acetate
SMILESCC(=O)OCCCN(C)C
InChIInChI=1S/C7H15NO2/c1-7(9)10-6-4-5-8(2)3/h4-6H2,1-3H3
InChIKeyQIOHHDBZBVJGCT-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.50
Rot. Bonds4

About 3-(dimethylamino)propyl acetate

3-(dimethylamino)propyl acetate (PubChem CID 547119) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(dimethylamino)propyl acetate.

Molecular Properties

Compound Name3-(dimethylamino)propyl acetate
PubChem CID547119
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(dimethylamino)propyl acetate
SMILESCC(=O)OCCCN(C)C
InChIInChI=1S/C7H15NO2/c1-7(9)10-6-4-5-8(2)3/h4-6H2,1-3H3
InChIKeyQIOHHDBZBVJGCT-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl acetate?
The IUPAC name of 3-(dimethylamino)propyl acetate (CID 547119) is 3-(dimethylamino)propyl acetate.
What is the SMILES notation for 3-(dimethylamino)propyl acetate?
The canonical SMILES for 3-(dimethylamino)propyl acetate is CC(=O)OCCCN(C)C.
What is the InChIKey of 3-(dimethylamino)propyl acetate?
The InChIKey is QIOHHDBZBVJGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(9)10-6-4-5-8(2)3/h4-6H2,1-3H3.
What are the key properties of 3-(dimethylamino)propyl acetate?
3-(dimethylamino)propyl acetate has a molecular weight of 145.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl acetate is sourced from PubChem (CID 547119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).