3-(ethylamino)propyl acetate

C7H15NO2 — CID 88999125

IUPAC3-(ethylamino)propyl acetate
SMILESCCNCCCOC(C)=O
InChIInChI=1S/C7H15NO2/c1-3-8-5-4-6-10-7(2)9/h8H,3-6H2,1-2H3
InChIKeyVXCGDUAQLOXXLS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds5

About 3-(ethylamino)propyl acetate

3-(ethylamino)propyl acetate (PubChem CID 88999125) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(ethylamino)propyl acetate.

Molecular Properties

Compound Name3-(ethylamino)propyl acetate
PubChem CID88999125
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(ethylamino)propyl acetate
SMILESCCNCCCOC(C)=O
InChIInChI=1S/C7H15NO2/c1-3-8-5-4-6-10-7(2)9/h8H,3-6H2,1-2H3
InChIKeyVXCGDUAQLOXXLS-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(ethylamino)propyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(butylamino)propyl acetate
CID 82532357
3-(ethylamino)propyl octadecanoate
CID 157471077
11-acetyloxyundecyl acetate
CID 87784419
ethyl acetate;2-(ethylamino)ethanol
CID 88508580
acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
CID 162327339
3-[3-(ethylamino)propoxy]propylurea
CID 22381168
CID 87429945
CID 87429945
CID 159701402
CID 159701402
CID 159328585
CID 159328585
acetic acid;butyl acetate
CID 158450873
2-[4-(ethylamino)butylamino]ethyl methyl carbonate
CID 59121659
2-acetyloxyethyl acetate;hexane
CID 137406148

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)propyl acetate?
The IUPAC name of 3-(ethylamino)propyl acetate (CID 88999125) is 3-(ethylamino)propyl acetate.
What is the SMILES notation for 3-(ethylamino)propyl acetate?
The canonical SMILES for 3-(ethylamino)propyl acetate is CCNCCCOC(C)=O.
What is the InChIKey of 3-(ethylamino)propyl acetate?
The InChIKey is VXCGDUAQLOXXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-8-5-4-6-10-7(2)9/h8H,3-6H2,1-2H3.
What are the key properties of 3-(ethylamino)propyl acetate?
3-(ethylamino)propyl acetate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propyl acetate is sourced from PubChem (CID 88999125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).