hex-5-en-2-yl 2-(ethylamino)acetate

C10H19NO2 — CID 155163377

IUPAChex-5-en-2-yl 2-(ethylamino)acetate
SMILESC=CCCC(C)OC(=O)CNCC
InChIInChI=1S/C10H19NO2/c1-4-6-7-9(3)13-10(12)8-11-5-2/h4,9,11H,1,5-8H2,2-3H3
InChIKeyXYZAUFZBTWOBMF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds7

About hex-5-en-2-yl 2-(ethylamino)acetate

hex-5-en-2-yl 2-(ethylamino)acetate (PubChem CID 155163377) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is hex-5-en-2-yl 2-(ethylamino)acetate.

Molecular Properties

Compound Namehex-5-en-2-yl 2-(ethylamino)acetate
PubChem CID155163377
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namehex-5-en-2-yl 2-(ethylamino)acetate
SMILESC=CCCC(C)OC(=O)CNCC
InChIInChI=1S/C10H19NO2/c1-4-6-7-9(3)13-10(12)8-11-5-2/h4,9,11H,1,5-8H2,2-3H3
InChIKeyXYZAUFZBTWOBMF-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hex-5-en-2-yl 2-(ethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hex-5-en-2-yl 2-(ethylamino)acetate?
The IUPAC name of hex-5-en-2-yl 2-(ethylamino)acetate (CID 155163377) is hex-5-en-2-yl 2-(ethylamino)acetate.
What is the SMILES notation for hex-5-en-2-yl 2-(ethylamino)acetate?
The canonical SMILES for hex-5-en-2-yl 2-(ethylamino)acetate is C=CCCC(C)OC(=O)CNCC.
What is the InChIKey of hex-5-en-2-yl 2-(ethylamino)acetate?
The InChIKey is XYZAUFZBTWOBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-7-9(3)13-10(12)8-11-5-2/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of hex-5-en-2-yl 2-(ethylamino)acetate?
hex-5-en-2-yl 2-(ethylamino)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-2-yl 2-(ethylamino)acetate is sourced from PubChem (CID 155163377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).