butyl(triethyl)azanium;2-methylprop-2-enoate

C14H29NO2 — CID 139889730

IUPACbutyl(triethyl)azanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].CCCC[N+](CC)(CC)CC
InChIInChI=1S/C10H24N.C4H6O2/c1-5-9-10-11(6-2,7-3)8-4;1-3(2)4(5)6/h5-10H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyREHYZNPUOIBJCV-UHFFFAOYSA-M
MW243.39 g/mol
LogP1.98
Rot. Bonds7

About butyl(triethyl)azanium;2-methylprop-2-enoate

butyl(triethyl)azanium;2-methylprop-2-enoate (PubChem CID 139889730) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is butyl(triethyl)azanium;2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl(triethyl)azanium;2-methylprop-2-enoate
PubChem CID139889730
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namebutyl(triethyl)azanium;2-methylprop-2-enoate
SMILESC=C(C)C(=O)[O-].CCCC[N+](CC)(CC)CC
InChIInChI=1S/C10H24N.C4H6O2/c1-5-9-10-11(6-2,7-3)8-4;1-3(2)4(5)6/h5-10H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1
InChIKeyREHYZNPUOIBJCV-UHFFFAOYSA-M
XLogP1.98
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(butyl(triethyl)azanium);carbonate
CID 87364297
bis(tetrabutylazanium);carbonate
CID 14746847
2-methylprop-2-enoate;tributylsilanylium
CID 159425085
potassium;(E)-but-2-enedioate;tetrabutylazanium
CID 87375823
dibutyl(diethyl)azanium;titanium
CID 175271824
2-methylprop-2-enoate
CID 19005746
(Z)-4-hydroxy-4-oxobut-2-enoate;tributyl(ethyl)azanium
CID 87749569
copper;dodecanoate;2-methylprop-2-enoate
CID 130339555
2-hydroxypropanoate;tetrabutylazanium
CID 15404302
bis(didodecyl(diethyl)azanium);hexanedioate
CID 139963461
5-[diethyl(hexadecyl)azaniumyl]pentanoate
CID 88739288
3-[diethyl(hexadecyl)azaniumyl]propanoate
CID 18764665

Frequently Asked Questions

What is the IUPAC name of butyl(triethyl)azanium;2-methylprop-2-enoate?
The IUPAC name of butyl(triethyl)azanium;2-methylprop-2-enoate (CID 139889730) is butyl(triethyl)azanium;2-methylprop-2-enoate.
What is the SMILES notation for butyl(triethyl)azanium;2-methylprop-2-enoate?
The canonical SMILES for butyl(triethyl)azanium;2-methylprop-2-enoate is C=C(C)C(=O)[O-].CCCC[N+](CC)(CC)CC.
What is the InChIKey of butyl(triethyl)azanium;2-methylprop-2-enoate?
The InChIKey is REHYZNPUOIBJCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24N.C4H6O2/c1-5-9-10-11(6-2,7-3)8-4;1-3(2)4(5)6/h5-10H2,1-4H3;1H2,2H3,(H,5,6)/q+1;/p-1.
What are the key properties of butyl(triethyl)azanium;2-methylprop-2-enoate?
butyl(triethyl)azanium;2-methylprop-2-enoate has a molecular weight of 243.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triethyl)azanium;2-methylprop-2-enoate is sourced from PubChem (CID 139889730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).