4-(diethylamino)butan-2-yl 2-methylprop-2-enoate

C12H23NO2 — CID 142730754

IUPAC4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CCN(CC)CC
InChIInChI=1S/C12H23NO2/c1-6-13(7-2)9-8-11(5)15-12(14)10(3)4/h11H,3,6-9H2,1-2,4-5H3
InChIKeyGZQDIIGRFNSMFG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.23
Rot. Bonds7

About 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate

4-(diethylamino)butan-2-yl 2-methylprop-2-enoate (PubChem CID 142730754) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
PubChem CID142730754
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CCN(CC)CC
InChIInChI=1S/C12H23NO2/c1-6-13(7-2)9-8-11(5)15-12(14)10(3)4/h11H,3,6-9H2,1-2,4-5H3
InChIKeyGZQDIIGRFNSMFG-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(diethylamino)butan-2-yl 2-methylprop-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

1-(diethylamino)pentan-3-yl 2-methylprop-2-enoate
CID 150692893
[2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate
CID 57050528
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
2-methyl-6-(2-methylprop-2-enoyloxy)hept-2-enoic acid
CID 174542655
2-methyl-5-(2-methylprop-2-enoyloxy)hexane-1-sulfonic acid
CID 174599714
1-(diethylamino)butyl 2-methylprop-2-enoate
CID 87217870

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate (CID 142730754) is 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CCN(CC)CC.
What is the InChIKey of 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate?
The InChIKey is GZQDIIGRFNSMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-13(7-2)9-8-11(5)15-12(14)10(3)4/h11H,3,6-9H2,1-2,4-5H3.
What are the key properties of 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate?
4-(diethylamino)butan-2-yl 2-methylprop-2-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)butan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 142730754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).