ethyl 6-(dimethylamino)hexanoate

C10H21NO2 — CID 13257218

IUPACethyl 6-(dimethylamino)hexanoate
SMILESCCOC(=O)CCCCCN(C)C
InChIInChI=1S/C10H21NO2/c1-4-13-10(12)8-6-5-7-9-11(2)3/h4-9H2,1-3H3
InChIKeyMLRLKCCSQCCSED-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds7

About ethyl 6-(dimethylamino)hexanoate

ethyl 6-(dimethylamino)hexanoate (PubChem CID 13257218) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 6-(dimethylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(dimethylamino)hexanoate
PubChem CID13257218
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 6-(dimethylamino)hexanoate
SMILESCCOC(=O)CCCCCN(C)C
InChIInChI=1S/C10H21NO2/c1-4-13-10(12)8-6-5-7-9-11(2)3/h4-9H2,1-3H3
InChIKeyMLRLKCCSQCCSED-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(dimethylamino)hexanoate?
The IUPAC name of ethyl 6-(dimethylamino)hexanoate (CID 13257218) is ethyl 6-(dimethylamino)hexanoate.
What is the SMILES notation for ethyl 6-(dimethylamino)hexanoate?
The canonical SMILES for ethyl 6-(dimethylamino)hexanoate is CCOC(=O)CCCCCN(C)C.
What is the InChIKey of ethyl 6-(dimethylamino)hexanoate?
The InChIKey is MLRLKCCSQCCSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-13-10(12)8-6-5-7-9-11(2)3/h4-9H2,1-3H3.
What are the key properties of ethyl 6-(dimethylamino)hexanoate?
ethyl 6-(dimethylamino)hexanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(dimethylamino)hexanoate is sourced from PubChem (CID 13257218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).