bis(butyl(triethyl)azanium);carbonate

C21H48N2O3 — CID 87364297

IUPACbis(butyl(triethyl)azanium);carbonate
SMILESCCCC[N+](CC)(CC)CC.CCCC[N+](CC)(CC)CC.O=C([O-])[O-]
InChIInChI=1S/2C10H24N.CH2O3/c2*1-5-9-10-11(6-2,7-3)8-4;2-1(3)4/h2*5-10H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyRFWHASSXJFYTQJ-UHFFFAOYSA-L
MW376.63 g/mol
LogP2.88
Rot. Bonds12

About bis(butyl(triethyl)azanium);carbonate

bis(butyl(triethyl)azanium);carbonate (PubChem CID 87364297) has the molecular formula C21H48N2O3 and a molecular weight of 376.63 g/mol. Its IUPAC name is bis(butyl(triethyl)azanium);carbonate.

Molecular Properties

Compound Namebis(butyl(triethyl)azanium);carbonate
PubChem CID87364297
Molecular FormulaC21H48N2O3
Molecular Weight376.63 g/mol
Exact Mass376.37
IUPAC Namebis(butyl(triethyl)azanium);carbonate
SMILESCCCC[N+](CC)(CC)CC.CCCC[N+](CC)(CC)CC.O=C([O-])[O-]
InChIInChI=1S/2C10H24N.CH2O3/c2*1-5-9-10-11(6-2,7-3)8-4;2-1(3)4/h2*5-10H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyRFWHASSXJFYTQJ-UHFFFAOYSA-L
XLogP2.88
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(tetrabutylazanium);carbonate
CID 14746847
butyl(triethyl)azanium;2-methylprop-2-enoate
CID 139889730
dibutyl(diethyl)azanium;titanium
CID 175271824
bis(tributyl(2-methylpropyl)azanium);carbonate
CID 175421775
(Z)-4-hydroxy-4-oxobut-2-enoate;tributyl(ethyl)azanium
CID 87749569
potassium;(E)-but-2-enedioate;tetrabutylazanium
CID 87375823
2-hydroxypropanoate;tetrabutylazanium
CID 15404302
5-[diethyl(hexadecyl)azaniumyl]pentanoate
CID 88739288
3-[diethyl(hexadecyl)azaniumyl]propanoate
CID 18764665
bis(didodecyl(diethyl)azanium);hexanedioate
CID 139963461
tris(dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethylazanium) diphosphate
CID 22362194
phosphoric acid;triethyl(pentyl)azanium
CID 87212013

Frequently Asked Questions

What is the IUPAC name of bis(butyl(triethyl)azanium);carbonate?
The IUPAC name of bis(butyl(triethyl)azanium);carbonate (CID 87364297) is bis(butyl(triethyl)azanium);carbonate.
What is the SMILES notation for bis(butyl(triethyl)azanium);carbonate?
The canonical SMILES for bis(butyl(triethyl)azanium);carbonate is CCCC[N+](CC)(CC)CC.CCCC[N+](CC)(CC)CC.O=C([O-])[O-].
What is the InChIKey of bis(butyl(triethyl)azanium);carbonate?
The InChIKey is RFWHASSXJFYTQJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H24N.CH2O3/c2*1-5-9-10-11(6-2,7-3)8-4;2-1(3)4/h2*5-10H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(butyl(triethyl)azanium);carbonate?
bis(butyl(triethyl)azanium);carbonate has a molecular weight of 376.63 g/mol, XLogP of 2.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butyl(triethyl)azanium);carbonate is sourced from PubChem (CID 87364297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).