1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene

C6H10BN — CID 164667678

IUPAC1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene
SMILESC[b-]1ccc[n+](C)c1
InChIInChI=1S/C6H10BN/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
InChIKeyYPKQGWPGCQFQDE-UHFFFAOYSA-N
MW106.96 g/mol
LogP0.07
Rot. Bonds

About 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene

1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene (PubChem CID 164667678) has the molecular formula C6H10BN and a molecular weight of 106.96 g/mol. Its IUPAC name is 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene.

Molecular Properties

Compound Name1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene
PubChem CID164667678
Molecular FormulaC6H10BN
Molecular Weight106.96 g/mol
Exact Mass107.09
IUPAC Name1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene
SMILESC[b-]1ccc[n+](C)c1
InChIInChI=1S/C6H10BN/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
InChIKeyYPKQGWPGCQFQDE-UHFFFAOYSA-N
XLogP0.07
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.96
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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[(Z)-but-2-enylidene]-ethyl-methylazanium
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Ethylidene-methyl-prop-2-enylazanium
CID 123140192
But-2-enylidene-ethyl-methylazanium
CID 123704116
Ethyl-methyl-prop-2-enylideneazanium
CID 123768105
Methyl-prop-2-enylidene-propylazanium
CID 137414932
CID 176556439
CID 176556439
Diethyl(prop-2-enylidene)azanium
CID 21721345
1-Aza-3-boranuidacyclohexa-2,4,6-triene
CID 59583184
1-(Prop-2-enylideneamino)propylideneytterbium
CID 161943461

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene?
The IUPAC name of 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene (CID 164667678) is 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene.
What is the SMILES notation for 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene?
The canonical SMILES for 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene is C[b-]1ccc[n+](C)c1.
What is the InChIKey of 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene?
The InChIKey is YPKQGWPGCQFQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BN/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene?
1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene has a molecular weight of 106.96 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene is sourced from PubChem (CID 164667678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).