(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium

C13H24N+ — CID 14634830

IUPAC(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium
SMILESCC1(C)C2CC=C(C[N+](C)(C)C)C1C2
InChIInChI=1S/C13H24N/c1-13(2)11-7-6-10(12(13)8-11)9-14(3,4)5/h6,11-12H,7-9H2,1-5H3/q+1
InChIKeyKUDCIKDUKGNUEH-UHFFFAOYSA-N
MW194.34 g/mol
LogP2.68
Rot. Bonds2

About (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium

(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium (PubChem CID 14634830) has the molecular formula C13H24N+ and a molecular weight of 194.34 g/mol. Its IUPAC name is (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium.

Molecular Properties

Compound Name(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium
PubChem CID14634830
Molecular FormulaC13H24N+
Molecular Weight194.34 g/mol
Exact Mass194.19
IUPAC Name(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium
SMILESCC1(C)C2CC=C(C[N+](C)(C)C)C1C2
InChIInChI=1S/C13H24N/c1-13(2)11-7-6-10(12(13)8-11)9-14(3,4)5/h6,11-12H,7-9H2,1-5H3/q+1
InChIKeyKUDCIKDUKGNUEH-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis((6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol);titanium
CID 177408471
(1R,5S)-2-(chloromethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 67996111
2-(4-chlorophenyl)ethyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium iodide
CID 71450530
3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,2-dimethylpropan-1-ol
CID 118072767
2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 130113616
3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]propanoic acid
CID 130925830
2-(isocyanatomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 105437148
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl nitrite
CID 162522509
[4-(3-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium
CID 71462810
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate
CID 131003222
2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 98476018
[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl acetate
CID 11435490

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium?
The IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium (CID 14634830) is (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium.
What is the SMILES notation for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium?
The canonical SMILES for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium is CC1(C)C2CC=C(C[N+](C)(C)C)C1C2.
What is the InChIKey of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium?
The InChIKey is KUDCIKDUKGNUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N/c1-13(2)11-7-6-10(12(13)8-11)9-14(3,4)5/h6,11-12H,7-9H2,1-5H3/q+1.
What are the key properties of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium?
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium has a molecular weight of 194.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium is sourced from PubChem (CID 14634830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).