3-aminopropyl ethyl carbonate

C6H13NO3 — CID 79338134

IUPAC3-aminopropyl ethyl carbonate
SMILESCCOC(=O)OCCCN
InChIInChI=1S/C6H13NO3/c1-2-9-6(8)10-5-3-4-7/h2-5,7H2,1H3
InChIKeyAWZYKZQKKKYNTA-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.51
Rot. Bonds4

About 3-aminopropyl ethyl carbonate

3-aminopropyl ethyl carbonate (PubChem CID 79338134) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-aminopropyl ethyl carbonate.

Molecular Properties

Compound Name3-aminopropyl ethyl carbonate
PubChem CID79338134
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-aminopropyl ethyl carbonate
SMILESCCOC(=O)OCCCN
InChIInChI=1S/C6H13NO3/c1-2-9-6(8)10-5-3-4-7/h2-5,7H2,1H3
InChIKeyAWZYKZQKKKYNTA-UHFFFAOYSA-N
XLogP0.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-aminopropyl ethyl carbonate?
The IUPAC name of 3-aminopropyl ethyl carbonate (CID 79338134) is 3-aminopropyl ethyl carbonate.
What is the SMILES notation for 3-aminopropyl ethyl carbonate?
The canonical SMILES for 3-aminopropyl ethyl carbonate is CCOC(=O)OCCCN.
What is the InChIKey of 3-aminopropyl ethyl carbonate?
The InChIKey is AWZYKZQKKKYNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-9-6(8)10-5-3-4-7/h2-5,7H2,1H3.
What are the key properties of 3-aminopropyl ethyl carbonate?
3-aminopropyl ethyl carbonate has a molecular weight of 147.17 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl ethyl carbonate is sourced from PubChem (CID 79338134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).