1-(tert-butylamino)propyl 2-methylprop-2-enoate

C11H21NO2 — CID 18325515

IUPAC1-(tert-butylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)NC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7-9(12-11(4,5)6)14-10(13)8(2)3/h9,12H,2,7H2,1,3-6H3
InChIKeyOPCOEQMBJOXLHG-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.23
Rot. Bonds4

About 1-(tert-butylamino)propyl 2-methylprop-2-enoate

1-(tert-butylamino)propyl 2-methylprop-2-enoate (PubChem CID 18325515) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(tert-butylamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(tert-butylamino)propyl 2-methylprop-2-enoate
PubChem CID18325515
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(tert-butylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)NC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-7-9(12-11(4,5)6)14-10(13)8(2)3/h9,12H,2,7H2,1,3-6H3
InChIKeyOPCOEQMBJOXLHG-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.23
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

[2-(tert-butylamino)-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 22750442
[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
CID 91213887
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
1-(1,1-diethoxyethylamino)ethyl 2-methylprop-2-enoate
CID 139878668
[2-amino-2-(tert-butylamino)ethyl] 2-methylprop-2-enoate
CID 141211213
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
1,2-bis(methylamino)ethyl 2-methylprop-2-enoate
CID 54104991
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
CID 173234354
(5-ethyl-1-hydroxy-5-methylheptyl) 2-methylprop-2-enoate
CID 87399518
[4-hydroxy-5,5-dimethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
CID 156636376

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 1-(tert-butylamino)propyl 2-methylprop-2-enoate (CID 18325515) is 1-(tert-butylamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(tert-butylamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(tert-butylamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)propyl 2-methylprop-2-enoate?
The InChIKey is OPCOEQMBJOXLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-9(12-11(4,5)6)14-10(13)8(2)3/h9,12H,2,7H2,1,3-6H3.
What are the key properties of 1-(tert-butylamino)propyl 2-methylprop-2-enoate?
1-(tert-butylamino)propyl 2-methylprop-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18325515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).