tert-butyl-ethenyl-dimethylazanium

C8H18N+ — CID 123181702

IUPACtert-butyl-ethenyl-dimethylazanium
SMILESC=C[N+](C)(C)C(C)(C)C
InChIInChI=1S/C8H18N/c1-7-9(5,6)8(2,3)4/h7H,1H2,2-6H3/q+1
InChIKeyMUNGGBLSPPEFPC-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.00
Rot. Bonds1

About tert-butyl-ethenyl-dimethylazanium

tert-butyl-ethenyl-dimethylazanium (PubChem CID 123181702) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is tert-butyl-ethenyl-dimethylazanium.

Molecular Properties

Compound Nametert-butyl-ethenyl-dimethylazanium
PubChem CID123181702
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Nametert-butyl-ethenyl-dimethylazanium
SMILESC=C[N+](C)(C)C(C)(C)C
InChIInChI=1S/C8H18N/c1-7-9(5,6)8(2,3)4/h7H,1H2,2-6H3/q+1
InChIKeyMUNGGBLSPPEFPC-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.00
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

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CID 11412387
N,N'-di-t-butyl-1-germa-2,5-diaza-3-cyclopentene
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dilithium;tert-butyl-[(Z)-2-tert-butylazanidylethenyl]azanide
CID 59557623
1,4-Ditert-butyl-1,4-azaborinine
CID 71472840
1,3-Ditert-butyl-1,3,2lambda2-diazastannole
CID 154710402
N-ethenyl-N,2-dimethylpropan-2-amine
CID 15241889
1,3-Ditert-butyl-2,2-dimethyl-1,3,2-diazagermole
CID 16704253
N-tert-butyl-N-ethenyl-2-methylpropan-2-amine
CID 22467883
Bis(ethenyl)-di(propan-2-yl)azanium
CID 23063034
N,2-dimethyl-N-prop-1-enylpropan-2-amine
CID 59251032
(E)-N,N,N',N'-tetratert-butylethene-1,2-diamine
CID 59773896
(Z)-N,N'-ditert-butyl-N,N'-dimethylethene-1,2-diamine
CID 59815251

Frequently Asked Questions

What is the IUPAC name of tert-butyl-ethenyl-dimethylazanium?
The IUPAC name of tert-butyl-ethenyl-dimethylazanium (CID 123181702) is tert-butyl-ethenyl-dimethylazanium.
What is the SMILES notation for tert-butyl-ethenyl-dimethylazanium?
The canonical SMILES for tert-butyl-ethenyl-dimethylazanium is C=C[N+](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-ethenyl-dimethylazanium?
The InChIKey is MUNGGBLSPPEFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-7-9(5,6)8(2,3)4/h7H,1H2,2-6H3/q+1.
What are the key properties of tert-butyl-ethenyl-dimethylazanium?
tert-butyl-ethenyl-dimethylazanium has a molecular weight of 128.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethenyl-dimethylazanium is sourced from PubChem (CID 123181702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).