methyl 6-(diethylamino)hex-4-enoate

C11H21NO2 — CID 54483728

IUPACmethyl 6-(diethylamino)hex-4-enoate
SMILESCCN(CC)CC=CCCC(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-12(5-2)10-8-6-7-9-11(13)14-3/h6,8H,4-5,7,9-10H2,1-3H3
InChIKeyXQVDPTZMCDDDPU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.84
Rot. Bonds7

About methyl 6-(diethylamino)hex-4-enoate

methyl 6-(diethylamino)hex-4-enoate (PubChem CID 54483728) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 6-(diethylamino)hex-4-enoate.

Molecular Properties

Compound Namemethyl 6-(diethylamino)hex-4-enoate
PubChem CID54483728
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 6-(diethylamino)hex-4-enoate
SMILESCCN(CC)CC=CCCC(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-12(5-2)10-8-6-7-9-11(13)14-3/h6,8H,4-5,7,9-10H2,1-3H3
InChIKeyXQVDPTZMCDDDPU-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 6-(diethylamino)hex-4-enoate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl (E)-oct-4-enedioate
CID 15585051
methyl (Z)-oct-4-enoate
CID 5352774
methyl (4E,7E)-deca-4,7-dienoate
CID 102118317
methyl (4Z,8E)-trideca-4,8,12-trienoate
CID 5322113
methyl (4E)-octa-4,7-dienoate
CID 10986465
methyl (4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z)-tetratriaconta-4,7,10,13,16,19,22,25,28-nonaenoate
CID 10255583
methyl (Z)-oct-4-en-7-ynoate
CID 162411780
methyl (4Z,6E)-7-chloroocta-4,6-dienoate
CID 131856006
methyl 3-[ethyl(3-phenylprop-2-enyl)amino]propanoate
CID 76931444
methyl hepta-4,6-dienoate
CID 53405107
methyl dec-5-enoate
CID 54534253
dimethyl (E)-triacont-15-enedioate
CID 10767955

Frequently Asked Questions

What is the IUPAC name of methyl 6-(diethylamino)hex-4-enoate?
The IUPAC name of methyl 6-(diethylamino)hex-4-enoate (CID 54483728) is methyl 6-(diethylamino)hex-4-enoate.
What is the SMILES notation for methyl 6-(diethylamino)hex-4-enoate?
The canonical SMILES for methyl 6-(diethylamino)hex-4-enoate is CCN(CC)CC=CCCC(=O)OC.
What is the InChIKey of methyl 6-(diethylamino)hex-4-enoate?
The InChIKey is XQVDPTZMCDDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12(5-2)10-8-6-7-9-11(13)14-3/h6,8H,4-5,7,9-10H2,1-3H3.
What are the key properties of methyl 6-(diethylamino)hex-4-enoate?
methyl 6-(diethylamino)hex-4-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(diethylamino)hex-4-enoate is sourced from PubChem (CID 54483728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).