2-(dec-9-en-4-ylamino)ethyl hex-5-enoate

C18H33NO2 — CID 11109212

IUPAC2-(dec-9-en-4-ylamino)ethyl hex-5-enoate
SMILESC=CCCCCC(CCC)NCCOC(=O)CCCC=C
InChIInChI=1S/C18H33NO2/c1-4-7-9-11-13-17(12-6-3)19-15-16-21-18(20)14-10-8-5-2/h4-5,17,19H,1-2,6-16H2,3H3
InChIKeyJRPUYRAUUSCWLP-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.39
Rot. Bonds15

About 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate

2-(dec-9-en-4-ylamino)ethyl hex-5-enoate (PubChem CID 11109212) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate.

Molecular Properties

Compound Name2-(dec-9-en-4-ylamino)ethyl hex-5-enoate
PubChem CID11109212
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-(dec-9-en-4-ylamino)ethyl hex-5-enoate
SMILESC=CCCCCC(CCC)NCCOC(=O)CCCC=C
InChIInChI=1S/C18H33NO2/c1-4-7-9-11-13-17(12-6-3)19-15-16-21-18(20)14-10-8-5-2/h4-5,17,19H,1-2,6-16H2,3H3
InChIKeyJRPUYRAUUSCWLP-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate?
The IUPAC name of 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate (CID 11109212) is 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate.
What is the SMILES notation for 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate?
The canonical SMILES for 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate is C=CCCCCC(CCC)NCCOC(=O)CCCC=C.
What is the InChIKey of 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate?
The InChIKey is JRPUYRAUUSCWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-7-9-11-13-17(12-6-3)19-15-16-21-18(20)14-10-8-5-2/h4-5,17,19H,1-2,6-16H2,3H3.
What are the key properties of 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate?
2-(dec-9-en-4-ylamino)ethyl hex-5-enoate has a molecular weight of 295.47 g/mol, XLogP of 4.39, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dec-9-en-4-ylamino)ethyl hex-5-enoate is sourced from PubChem (CID 11109212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).