ethyl 6-(2-but-3-enoxyethylamino)hexanoate

C14H27NO3 — CID 106401753

IUPACethyl 6-(2-but-3-enoxyethylamino)hexanoate
SMILESC=CCCOCCNCCCCCC(=O)OCC
InChIInChI=1S/C14H27NO3/c1-3-5-12-17-13-11-15-10-8-6-7-9-14(16)18-4-2/h3,15H,1,4-13H2,2H3
InChIKeyCYPUSGRHSFPHJE-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.29
Rot. Bonds13

About ethyl 6-(2-but-3-enoxyethylamino)hexanoate

ethyl 6-(2-but-3-enoxyethylamino)hexanoate (PubChem CID 106401753) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 6-(2-but-3-enoxyethylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-but-3-enoxyethylamino)hexanoate
PubChem CID106401753
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 6-(2-but-3-enoxyethylamino)hexanoate
SMILESC=CCCOCCNCCCCCC(=O)OCC
InChIInChI=1S/C14H27NO3/c1-3-5-12-17-13-11-15-10-8-6-7-9-14(16)18-4-2/h3,15H,1,4-13H2,2H3
InChIKeyCYPUSGRHSFPHJE-UHFFFAOYSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-but-3-enoxyethylamino)pentanoic acid
CID 106402163
ethyl 3-but-3-enoxypropanoate
CID 43174166
ethyl hept-6-enoate
CID 560341
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
ethyl 3-pent-4-enoxypropanoate
CID 79113239
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
1-O-ethyl 5-O-pent-4-enyl pentanedioate
CID 91718034
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
CID 134487391
but-3-enyl heptanoate
CID 539056
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-but-3-enoxyethylamino)hexanoate?
The IUPAC name of ethyl 6-(2-but-3-enoxyethylamino)hexanoate (CID 106401753) is ethyl 6-(2-but-3-enoxyethylamino)hexanoate.
What is the SMILES notation for ethyl 6-(2-but-3-enoxyethylamino)hexanoate?
The canonical SMILES for ethyl 6-(2-but-3-enoxyethylamino)hexanoate is C=CCCOCCNCCCCCC(=O)OCC.
What is the InChIKey of ethyl 6-(2-but-3-enoxyethylamino)hexanoate?
The InChIKey is CYPUSGRHSFPHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-5-12-17-13-11-15-10-8-6-7-9-14(16)18-4-2/h3,15H,1,4-13H2,2H3.
What are the key properties of ethyl 6-(2-but-3-enoxyethylamino)hexanoate?
ethyl 6-(2-but-3-enoxyethylamino)hexanoate has a molecular weight of 257.37 g/mol, XLogP of 2.29, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-but-3-enoxyethylamino)hexanoate is sourced from PubChem (CID 106401753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).