ditert-butyl(diethyl)azanium

C12H28N+ — CID 174667270

IUPACditert-butyl(diethyl)azanium
SMILESCC[N+](CC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28N/c1-9-13(10-2,11(3,4)5)12(6,7)8/h9-10H2,1-8H3/q+1
InChIKeyHZICENWYFJWDIK-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.44
Rot. Bonds2

About ditert-butyl(diethyl)azanium

ditert-butyl(diethyl)azanium (PubChem CID 174667270) has the molecular formula C12H28N+ and a molecular weight of 186.36 g/mol. Its IUPAC name is ditert-butyl(diethyl)azanium.

Molecular Properties

Compound Nameditert-butyl(diethyl)azanium
PubChem CID174667270
Molecular FormulaC12H28N+
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Nameditert-butyl(diethyl)azanium
SMILESCC[N+](CC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28N/c1-9-13(10-2,11(3,4)5)12(6,7)8/h9-10H2,1-8H3/q+1
InChIKeyHZICENWYFJWDIK-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl(triethyl)azanium bromide
CID 18979419
2,2-bis(methylsulfanyl)butane
CID 90995794
ditert-butyl(dihydroxy)azanium
CID 163417202
tert-butyl-dimethyl-(3-methylpentan-3-yl)azanium
CID 90750409
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
N-ethyl-N,2,3,3,4,4-hexamethylpentan-2-amine
CID 91391279
iron(2+);tetraethylazanium
CID 159930273
tert-butyl(trimethyl)azanium bromide
CID 23065042
tetraethylazanium hydroxide
CID 6509
ethyl(trimethyl)azanium;dihydrate
CID 174491612
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(diethyl)azanium?
The IUPAC name of ditert-butyl(diethyl)azanium (CID 174667270) is ditert-butyl(diethyl)azanium.
What is the SMILES notation for ditert-butyl(diethyl)azanium?
The canonical SMILES for ditert-butyl(diethyl)azanium is CC[N+](CC)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(diethyl)azanium?
The InChIKey is HZICENWYFJWDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N/c1-9-13(10-2,11(3,4)5)12(6,7)8/h9-10H2,1-8H3/q+1.
What are the key properties of ditert-butyl(diethyl)azanium?
ditert-butyl(diethyl)azanium has a molecular weight of 186.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(diethyl)azanium is sourced from PubChem (CID 174667270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).