Butyldimethylamine Cyanofluoroborane

C7H15BFN2 — CID 16661664

IUPAC—
SMILESCCCCN(C)C.N#C[B]F
InChIInChI=1S/C6H15N.CBFN/c1-4-5-6-7(2)3;3-2-1-4/h4-6H2,1-3H3;
InChIKeyWQYMKEUFZCEWPU-UHFFFAOYSA-N
MW157.02 g/mol
LogP1.40
Rot. Bonds3

About Butyldimethylamine Cyanofluoroborane

Butyldimethylamine Cyanofluoroborane (PubChem CID 16661664) has the molecular formula C7H15BFN2 and a molecular weight of 157.02 g/mol.

Molecular Properties

Compound NameButyldimethylamine Cyanofluoroborane
PubChem CID16661664
Molecular FormulaC7H15BFN2
Molecular Weight157.02 g/mol
Exact Mass157.13
IUPAC Name—
SMILESCCCCN(C)C.N#C[B]F
InChIInChI=1S/C6H15N.CBFN/c1-4-5-6-7(2)3;3-2-1-4/h4-6H2,1-3H3;
InChIKeyWQYMKEUFZCEWPU-UHFFFAOYSA-N
XLogP1.40
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.02
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001

Frequently Asked Questions

What is the IUPAC name of Butyldimethylamine Cyanofluoroborane?
The IUPAC name of Butyldimethylamine Cyanofluoroborane (CID 16661664) is not available.
What is the SMILES notation for Butyldimethylamine Cyanofluoroborane?
The canonical SMILES for Butyldimethylamine Cyanofluoroborane is CCCCN(C)C.N#C[B]F.
What is the InChIKey of Butyldimethylamine Cyanofluoroborane?
The InChIKey is WQYMKEUFZCEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CBFN/c1-4-5-6-7(2)3;3-2-1-4/h4-6H2,1-3H3;.
What are the key properties of Butyldimethylamine Cyanofluoroborane?
Butyldimethylamine Cyanofluoroborane has a molecular weight of 157.02 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Butyldimethylamine Cyanofluoroborane is sourced from PubChem (CID 16661664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).