1-(2,2-dimethylpropylamino)ethyl prop-2-enoate

C10H19NO2 — CID 22901740

IUPAC1-(2,2-dimethylpropylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NCC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-9(12)13-8(2)11-7-10(3,4)5/h6,8,11H,1,7H2,2-5H3
InChIKeyGDUYXBZCHHTENB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.70
Rot. Bonds4

About 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate

1-(2,2-dimethylpropylamino)ethyl prop-2-enoate (PubChem CID 22901740) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(2,2-dimethylpropylamino)ethyl prop-2-enoate
PubChem CID22901740
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2,2-dimethylpropylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NCC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-9(12)13-8(2)11-7-10(3,4)5/h6,8,11H,1,7H2,2-5H3
InChIKeyGDUYXBZCHHTENB-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
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-(benzylamino)ethyl prop-2-enoate;hydrobromide
CID 175525359
1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
4,4,6,6,8-pentamethylnonan-2-yl prop-2-enoate
CID 57276190
tert-butyl-ethyl-methyl-(1-prop-2-enoyloxyethyl)azanium
CID 175422863
1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate
CID 141386439
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate
CID 170161205
(2,2-dimethyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 161076585
1-(ethylidenecarbamoylamino)ethyl prop-2-enoate
CID 174667528
(6,6-dimethyl-1-prop-2-enoyloxyheptyl) prop-2-enoate
CID 154418165
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate?
The IUPAC name of 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate (CID 22901740) is 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate.
What is the SMILES notation for 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate?
The canonical SMILES for 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate is C=CC(=O)OC(C)NCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate?
The InChIKey is GDUYXBZCHHTENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-9(12)13-8(2)11-7-10(3,4)5/h6,8,11H,1,7H2,2-5H3.
What are the key properties of 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate?
1-(2,2-dimethylpropylamino)ethyl prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylamino)ethyl prop-2-enoate is sourced from PubChem (CID 22901740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).