2,3-dimethyloctan-2-ylazanium tetrafluoroborate

C10H24BF4N — CID 87195438

IUPAC2,3-dimethyloctan-2-ylazanium tetrafluoroborate
SMILESCCCCCC(C)C(C)(C)[NH3+].F[B-](F)(F)F
InChIInChI=1S/C10H23N.BF4/c1-5-6-7-8-9(2)10(3,4)11;2-1(3,4)5/h9H,5-8,11H2,1-4H3;/q;-1/p+1
InChIKeyHNRNQPFTMRQBTC-UHFFFAOYSA-O
MW245.11 g/mol
LogP3.52
Rot. Bonds5

About 2,3-dimethyloctan-2-ylazanium tetrafluoroborate

2,3-dimethyloctan-2-ylazanium tetrafluoroborate (PubChem CID 87195438) has the molecular formula C10H24BF4N and a molecular weight of 245.11 g/mol. Its IUPAC name is 2,3-dimethyloctan-2-ylazanium tetrafluoroborate.

Molecular Properties

Compound Name2,3-dimethyloctan-2-ylazanium tetrafluoroborate
PubChem CID87195438
Molecular FormulaC10H24BF4N
Molecular Weight245.11 g/mol
Exact Mass245.19
IUPAC Name2,3-dimethyloctan-2-ylazanium tetrafluoroborate
SMILESCCCCCC(C)C(C)(C)[NH3+].F[B-](F)(F)F
InChIInChI=1S/C10H23N.BF4/c1-5-6-7-8-9(2)10(3,4)11;2-1(3,4)5/h9H,5-8,11H2,1-4H3;/q;-1/p+1
InChIKeyHNRNQPFTMRQBTC-UHFFFAOYSA-O
XLogP3.52
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,3-trimethylundecane
CID 21285055
2,3-dimethyltridecane-2-thiol
CID 175066611
2,3,3,4-tetramethylnonadecane
CID 174953704
2-chloro-2,3-dimethyltridecane
CID 87222996
2,3-dimethylhexadecan-2-amine
CID 87479269
2-chloro-2,3-dimethylnonane
CID 87897655
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
(3-dodecyl-2-methylpentadecan-2-yl)azanium bromide
CID 3018030
3-methylheptadecane-2,2-diamine
CID 141040528
4-chloro-4,5-dimethyltridecane
CID 152641357
ethyl(tripentyl)phosphanium tetrafluoroborate
CID 18769296

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyloctan-2-ylazanium tetrafluoroborate?
The IUPAC name of 2,3-dimethyloctan-2-ylazanium tetrafluoroborate (CID 87195438) is 2,3-dimethyloctan-2-ylazanium tetrafluoroborate.
What is the SMILES notation for 2,3-dimethyloctan-2-ylazanium tetrafluoroborate?
The canonical SMILES for 2,3-dimethyloctan-2-ylazanium tetrafluoroborate is CCCCCC(C)C(C)(C)[NH3+].F[B-](F)(F)F.
What is the InChIKey of 2,3-dimethyloctan-2-ylazanium tetrafluoroborate?
The InChIKey is HNRNQPFTMRQBTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23N.BF4/c1-5-6-7-8-9(2)10(3,4)11;2-1(3,4)5/h9H,5-8,11H2,1-4H3;/q;-1/p+1.
What are the key properties of 2,3-dimethyloctan-2-ylazanium tetrafluoroborate?
2,3-dimethyloctan-2-ylazanium tetrafluoroborate has a molecular weight of 245.11 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyloctan-2-ylazanium tetrafluoroborate is sourced from PubChem (CID 87195438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).