ethyl 2-methyl-4-(methylamino)hex-2-enoate

C10H19NO2 — CID 173010838

IUPACethyl 2-methyl-4-(methylamino)hex-2-enoate
SMILESCCOC(=O)C(C)=CC(CC)NC
InChIInChI=1S/C10H19NO2/c1-5-9(11-4)7-8(3)10(12)13-6-2/h7,9,11H,5-6H2,1-4H3
InChIKeyVBGDZMNTCHGXLD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About ethyl 2-methyl-4-(methylamino)hex-2-enoate

ethyl 2-methyl-4-(methylamino)hex-2-enoate (PubChem CID 173010838) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-methyl-4-(methylamino)hex-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(methylamino)hex-2-enoate
PubChem CID173010838
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-methyl-4-(methylamino)hex-2-enoate
SMILESCCOC(=O)C(C)=CC(CC)NC
InChIInChI=1S/C10H19NO2/c1-5-9(11-4)7-8(3)10(12)13-6-2/h7,9,11H,5-6H2,1-4H3
InChIKeyVBGDZMNTCHGXLD-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-methyl-4-(methylamino)hex-2-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

ethyl 2,5-dimethyl-4-(methylamino)hex-2-enoate;hydrochloride
CID 138108121
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
azane;ethyl 4-amino-2-methylhex-2-enoate
CID 173072927
ethyl (E)-2-methyl-4-(methylamino)-4-propan-2-yliodanuidylbut-2-enoate
CID 163900618
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
CID 10488247
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
ethyl 2-methyl-4-(propylamino)pent-2-enoate
CID 146443436
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl 2-methyl-3-(propan-2-ylamino)prop-2-enoate
CID 171480672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(methylamino)hex-2-enoate?
The IUPAC name of ethyl 2-methyl-4-(methylamino)hex-2-enoate (CID 173010838) is ethyl 2-methyl-4-(methylamino)hex-2-enoate.
What is the SMILES notation for ethyl 2-methyl-4-(methylamino)hex-2-enoate?
The canonical SMILES for ethyl 2-methyl-4-(methylamino)hex-2-enoate is CCOC(=O)C(C)=CC(CC)NC.
What is the InChIKey of ethyl 2-methyl-4-(methylamino)hex-2-enoate?
The InChIKey is VBGDZMNTCHGXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(11-4)7-8(3)10(12)13-6-2/h7,9,11H,5-6H2,1-4H3.
What are the key properties of ethyl 2-methyl-4-(methylamino)hex-2-enoate?
ethyl 2-methyl-4-(methylamino)hex-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(methylamino)hex-2-enoate is sourced from PubChem (CID 173010838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).