4-(dimethylamino)butyl acetate

C8H17NO2 — CID 18334969

IUPAC4-(dimethylamino)butyl acetate
SMILESCC(=O)OCCCCN(C)C
InChIInChI=1S/C8H17NO2/c1-8(10)11-7-5-4-6-9(2)3/h4-7H2,1-3H3
InChIKeyLXGGKSKOJZRGAN-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds5

About 4-(dimethylamino)butyl acetate

4-(dimethylamino)butyl acetate (PubChem CID 18334969) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(dimethylamino)butyl acetate.

Molecular Properties

Compound Name4-(dimethylamino)butyl acetate
PubChem CID18334969
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(dimethylamino)butyl acetate
SMILESCC(=O)OCCCCN(C)C
InChIInChI=1S/C8H17NO2/c1-8(10)11-7-5-4-6-9(2)3/h4-7H2,1-3H3
InChIKeyLXGGKSKOJZRGAN-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
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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Related Compounds

Carpronium Chloride
CID 25804
Carpronium
CID 2582
Ethyl 4-(dimethylamino)butyrate
CID 30904
Ethyl N-trimethyl-gamma-aminobutyrate chloride
CID 85826854
Ammonium, (3-hydroxypropyl)trimethyl-, chloride, acetate
CID 27818
Butyric acid, 4-diethylamino-, ethyl ester
CID 45407
gamma-Butyrobetaine ethyl ester
CID 30902
4-[Methoxymethyl(dimethyl)azaniumyl]butanoate
CID 90655237
4-Methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide
CID 29406
Ammonium, (2-carboxyethyl)trimethyl-, iodide, n-butyl ester
CID 29657
4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide
CID 30901
4-(Acetyloxy)-N,N,N-trimethylbutan-1-aminium iodide
CID 200850

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butyl acetate?
The IUPAC name of 4-(dimethylamino)butyl acetate (CID 18334969) is 4-(dimethylamino)butyl acetate.
What is the SMILES notation for 4-(dimethylamino)butyl acetate?
The canonical SMILES for 4-(dimethylamino)butyl acetate is CC(=O)OCCCCN(C)C.
What is the InChIKey of 4-(dimethylamino)butyl acetate?
The InChIKey is LXGGKSKOJZRGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(10)11-7-5-4-6-9(2)3/h4-7H2,1-3H3.
What are the key properties of 4-(dimethylamino)butyl acetate?
4-(dimethylamino)butyl acetate has a molecular weight of 159.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butyl acetate is sourced from PubChem (CID 18334969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).