tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C10H20NO2+ — CID 18325506

IUPACtert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[NH2+]C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3/p+1
InChIKeyBEWCNXNIQCLWHP-UHFFFAOYSA-O
MW186.27 g/mol
LogP0.47
Rot. Bonds4

About tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 18325506) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Nametert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID18325506
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Nametert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OCC[NH2+]C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3/p+1
InChIKeyBEWCNXNIQCLWHP-UHFFFAOYSA-O
XLogP0.47
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Methyl methacrylate ethyl acrylate t-butylaminoethyl methacrylate
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2-(Butylamino)ethyl 2-methylprop-2-enoate
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2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 17873151
Prop-2-enoic acid--2-(tert-butylamino)ethyl 2-methylprop-2-enoate (1/1)
CID 44150396
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium acetate
CID 73555277
(Di-tert-butylamino)ethylmethacrylat
CID 9964783
n,o-Bismethacryloyl ethanolamine
CID 15312507
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CID 90020

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 18325506) is tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[NH2+]C(C)(C)C.
What is the InChIKey of tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is BEWCNXNIQCLWHP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3/p+1.
What are the key properties of tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?
tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 186.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 18325506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).