butyl 4-(ethylamino)butanoate

C10H21NO2 — CID 89102104

IUPACbutyl 4-(ethylamino)butanoate
SMILESCCCCOC(=O)CCCNCC
InChIInChI=1S/C10H21NO2/c1-3-5-9-13-10(12)7-6-8-11-4-2/h11H,3-9H2,1-2H3
InChIKeyXHWIRBHKPRBKBN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds8

About butyl 4-(ethylamino)butanoate

butyl 4-(ethylamino)butanoate (PubChem CID 89102104) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is butyl 4-(ethylamino)butanoate.

Molecular Properties

Compound Namebutyl 4-(ethylamino)butanoate
PubChem CID89102104
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namebutyl 4-(ethylamino)butanoate
SMILESCCCCOC(=O)CCCNCC
InChIInChI=1S/C10H21NO2/c1-3-5-9-13-10(12)7-6-8-11-4-2/h11H,3-9H2,1-2H3
InChIKeyXHWIRBHKPRBKBN-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
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 butyl 4-(ethylamino)butanoate?
The IUPAC name of butyl 4-(ethylamino)butanoate (CID 89102104) is butyl 4-(ethylamino)butanoate.
What is the SMILES notation for butyl 4-(ethylamino)butanoate?
The canonical SMILES for butyl 4-(ethylamino)butanoate is CCCCOC(=O)CCCNCC.
What is the InChIKey of butyl 4-(ethylamino)butanoate?
The InChIKey is XHWIRBHKPRBKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-9-13-10(12)7-6-8-11-4-2/h11H,3-9H2,1-2H3.
What are the key properties of butyl 4-(ethylamino)butanoate?
butyl 4-(ethylamino)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(ethylamino)butanoate is sourced from PubChem (CID 89102104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).