ethylamino decanoate

C12H25NO2 — CID 151278124

IUPACethylamino decanoate
SMILESCCCCCCCCCC(=O)ONCC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-11-12(14)15-13-4-2/h13H,3-11H2,1-2H3
InChIKeyNXUDPKILNMMAII-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds10

About ethylamino decanoate

ethylamino decanoate (PubChem CID 151278124) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethylamino decanoate.

Molecular Properties

Compound Nameethylamino decanoate
PubChem CID151278124
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethylamino decanoate
SMILESCCCCCCCCCC(=O)ONCC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-11-12(14)15-13-4-2/h13H,3-11H2,1-2H3
InChIKeyNXUDPKILNMMAII-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(hexylamino) octanoate
CID 174754807
(dodecylamino) octanoate
CID 175102615
(2-aminoethylamino) octadecanoate
CID 87496709
methyl heptadecanoate
CID 15609
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl tetradecanoate
CID 89052795
(ethoxyamino) hexanoate
CID 175072174
(nonylamino) butanoate
CID 167224180
[[(Z)-octadec-9-enyl]amino] hexadecanoate
CID 155150078
[2-(diethylamino)ethylamino] octadecanoate
CID 175474278
(methoxycarbonylamino) octanoate
CID 87952242

Frequently Asked Questions

What is the IUPAC name of ethylamino decanoate?
The IUPAC name of ethylamino decanoate (CID 151278124) is ethylamino decanoate.
What is the SMILES notation for ethylamino decanoate?
The canonical SMILES for ethylamino decanoate is CCCCCCCCCC(=O)ONCC.
What is the InChIKey of ethylamino decanoate?
The InChIKey is NXUDPKILNMMAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-11-12(14)15-13-4-2/h13H,3-11H2,1-2H3.
What are the key properties of ethylamino decanoate?
ethylamino decanoate has a molecular weight of 215.34 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino decanoate is sourced from PubChem (CID 151278124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).