CID 159681930

C6H19BN+ — CID 159681930

IUPAC—
SMILESC.C.[B][N+](C)(C)CC
InChIInChI=1S/C4H11BN.2CH4/c1-4-6(2,3)5;;/h4H2,1-3H3;2*1H4/q+1;;
InChIKeyNBLYBCONWHQJRC-UHFFFAOYSA-N
MW116.04 g/mol
LogP1.44
Rot. Bonds1

About CID 159681930

CID 159681930 (PubChem CID 159681930) has the molecular formula C6H19BN+ and a molecular weight of 116.04 g/mol.

Molecular Properties

Compound NameCID 159681930
PubChem CID159681930
Molecular FormulaC6H19BN+
Molecular Weight116.04 g/mol
Exact Mass116.16
IUPAC Name—
SMILESC.C.[B][N+](C)(C)CC
InChIInChI=1S/C4H11BN.2CH4/c1-4-6(2,3)5;;/h4H2,1-3H3;2*1H4/q+1;;
InChIKeyNBLYBCONWHQJRC-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.04
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethyl-methanidyl-methylazanium
CID 123448649
ethyl(trimethyl)azanium;dihydrate
CID 174491612
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
N,N-dimethylethanamine oxide;hydrochloride
CID 42639630
diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404
amino(trimethyl)azanium;ethyl(trimethyl)azanium
CID 173458972
ethyl-formyl-dimethylazanium;methane
CID 161189527
methane;propane
CID 162082112
methane;propane
CID 160994941
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium
CID 123775918
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
ethyl-hydroxy-methyl-phosphanylazanium
CID 174821484

Frequently Asked Questions

What is the IUPAC name of CID 159681930?
The IUPAC name of CID 159681930 (CID 159681930) is not available.
What is the SMILES notation for CID 159681930?
The canonical SMILES for CID 159681930 is C.C.[B][N+](C)(C)CC.
What is the InChIKey of CID 159681930?
The InChIKey is NBLYBCONWHQJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BN.2CH4/c1-4-6(2,3)5;;/h4H2,1-3H3;2*1H4/q+1;;.
What are the key properties of CID 159681930?
CID 159681930 has a molecular weight of 116.04 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159681930 is sourced from PubChem (CID 159681930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).