2-(ethylamino)ethyl tetradecanoate

C18H37NO2 — CID 22321443

IUPAC2-(ethylamino)ethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCCNCC
InChIInChI=1S/C18H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19-4-2/h19H,3-17H2,1-2H3
InChIKeyYLAMSBYXSITAED-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.84
Rot. Bonds16

About 2-(ethylamino)ethyl tetradecanoate

2-(ethylamino)ethyl tetradecanoate (PubChem CID 22321443) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-(ethylamino)ethyl tetradecanoate.

Molecular Properties

Compound Name2-(ethylamino)ethyl tetradecanoate
PubChem CID22321443
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-(ethylamino)ethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCCNCC
InChIInChI=1S/C18H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19-4-2/h19H,3-17H2,1-2H3
InChIKeyYLAMSBYXSITAED-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.84
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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Related Compounds

2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
3-(ethylamino)propyl octadecanoate
CID 157471077
heptyl 3-(ethylamino)propanoate
CID 62328311
2-(2-propoxyethylamino)ethyl dodecanoate
CID 118029095
2-(2-octanoyloxyethylamino)acetic acid
CID 155435320
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
methyl hydrogen sulfate;2-(2-octanoyloxyethylamino)ethyl octanoate
CID 173271894
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
N-ethylethanamine;ethyl octanoate
CID 175032513
2-[[(Z)-octadec-9-enyl]amino]ethyl (Z)-octadec-9-enoate
CID 169290665
dipentyl pentadecanedioate
CID 87116442

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethyl tetradecanoate?
The IUPAC name of 2-(ethylamino)ethyl tetradecanoate (CID 22321443) is 2-(ethylamino)ethyl tetradecanoate.
What is the SMILES notation for 2-(ethylamino)ethyl tetradecanoate?
The canonical SMILES for 2-(ethylamino)ethyl tetradecanoate is CCCCCCCCCCCCCC(=O)OCCNCC.
What is the InChIKey of 2-(ethylamino)ethyl tetradecanoate?
The InChIKey is YLAMSBYXSITAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19-4-2/h19H,3-17H2,1-2H3.
What are the key properties of 2-(ethylamino)ethyl tetradecanoate?
2-(ethylamino)ethyl tetradecanoate has a molecular weight of 299.50 g/mol, XLogP of 4.84, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethyl tetradecanoate is sourced from PubChem (CID 22321443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).