[1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate

C12H23NO2 — CID 54194729

IUPAC[1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate
SMILESC=CC(=O)OC(N(CC)CC)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-7-10(14)15-11(12(4,5)6)13(8-2)9-3/h7,11H,1,8-9H2,2-6H3
InChIKeyPKZODIISNZFSBA-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.43
Rot. Bonds5

About [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate

[1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate (PubChem CID 54194729) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate.

Molecular Properties

Compound Name[1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate
PubChem CID54194729
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate
SMILESC=CC(=O)OC(N(CC)CC)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-7-10(14)15-11(12(4,5)6)13(8-2)9-3/h7,11H,1,8-9H2,2-6H3
InChIKeyPKZODIISNZFSBA-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(diethylamino)prop-2-enyl prop-2-enoate
CID 87565794
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
(3,3-dimethyl-2-prop-2-enoyloxybutyl) 2,2-dimethylpentanoate
CID 88562783
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-(2-methylbutan-2-yloxysilyl)propyl prop-2-enoate
CID 173229475
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341
tert-butyl-ethyl-methyl-(1-prop-2-enoyloxyethyl)azanium
CID 175422863
CID 172734708
CID 172734708
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
[5-(hydroxymethyl)-5-methylheptan-3-yl] prop-2-enoate
CID 89117261

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate?
The IUPAC name of [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate (CID 54194729) is [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate.
What is the SMILES notation for [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate?
The canonical SMILES for [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate is C=CC(=O)OC(N(CC)CC)C(C)(C)C.
What is the InChIKey of [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate?
The InChIKey is PKZODIISNZFSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-10(14)15-11(12(4,5)6)13(8-2)9-3/h7,11H,1,8-9H2,2-6H3.
What are the key properties of [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate?
[1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-2,2-dimethylpropyl] prop-2-enoate is sourced from PubChem (CID 54194729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).