2-aminoethyl butyl carbonate

C7H15NO3 — CID 58684243

IUPAC2-aminoethyl butyl carbonate
SMILESCCCCOC(=O)OCCN
InChIInChI=1S/C7H15NO3/c1-2-3-5-10-7(9)11-6-4-8/h2-6,8H2,1H3
InChIKeyUMDIHFCFIGXVQM-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.90
Rot. Bonds5

About 2-aminoethyl butyl carbonate

2-aminoethyl butyl carbonate (PubChem CID 58684243) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-aminoethyl butyl carbonate.

Molecular Properties

Compound Name2-aminoethyl butyl carbonate
PubChem CID58684243
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-aminoethyl butyl carbonate
SMILESCCCCOC(=O)OCCN
InChIInChI=1S/C7H15NO3/c1-2-3-5-10-7(9)11-6-4-8/h2-6,8H2,1H3
InChIKeyUMDIHFCFIGXVQM-UHFFFAOYSA-N
XLogP0.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.90
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 2-aminoethyl butyl carbonate?
The IUPAC name of 2-aminoethyl butyl carbonate (CID 58684243) is 2-aminoethyl butyl carbonate.
What is the SMILES notation for 2-aminoethyl butyl carbonate?
The canonical SMILES for 2-aminoethyl butyl carbonate is CCCCOC(=O)OCCN.
What is the InChIKey of 2-aminoethyl butyl carbonate?
The InChIKey is UMDIHFCFIGXVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-5-10-7(9)11-6-4-8/h2-6,8H2,1H3.
What are the key properties of 2-aminoethyl butyl carbonate?
2-aminoethyl butyl carbonate has a molecular weight of 161.20 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl butyl carbonate is sourced from PubChem (CID 58684243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).