CID 134991331

C8H19BN — CID 134991331

IUPAC—
SMILES[B-][N+](C)(C(C)C)C(C)(C)C
InChIInChI=1S/C8H19BN/c1-7(2)10(6,9)8(3,4)5/h7H,1-6H3
InChIKeyMDPVERKQBOEPTJ-UHFFFAOYSA-N
MW140.06 g/mol
LogP1.72
Rot. Bonds1

About CID 134991331

CID 134991331 (PubChem CID 134991331) has the molecular formula C8H19BN and a molecular weight of 140.06 g/mol.

Molecular Properties

Compound NameCID 134991331
PubChem CID134991331
Molecular FormulaC8H19BN
Molecular Weight140.06 g/mol
Exact Mass140.16
IUPAC Name—
SMILES[B-][N+](C)(C(C)C)C(C)(C)C
InChIInChI=1S/C8H19BN/c1-7(2)10(6,9)8(3,4)5/h7H,1-6H3
InChIKeyMDPVERKQBOEPTJ-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 134991331 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 123563572
CID 123563572
2-methyl-N,N-di(propan-2-yl)propan-2-amine oxide
CID 58320105
2,3-dimethylbutan-2-yl-dimethyl-propan-2-ylazanium
CID 147318009
tert-butyl(trimethyl)azanium bromide
CID 23065042
tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
CID 159779261
hydroxy-methyl-di(propan-2-yl)azanium
CID 138728861
N,N-di(propan-2-yl)propan-2-amine;methyl-tri(propan-2-yl)azanium;2,3,4-trimethyl-3-propan-2-ylpentane
CID 160841949
2-methylpropane;sulfane
CID 20976886
tetratert-butylazanium tetrafluoroborate
CID 14646938
3-iodo-2-methylbutane-2-thiol
CID 88560023
[dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide
CID 163520649
tetra(propan-2-yl)azanium fluoride
CID 18764598

Frequently Asked Questions

What is the IUPAC name of CID 134991331?
The IUPAC name of CID 134991331 (CID 134991331) is not available.
What is the SMILES notation for CID 134991331?
The canonical SMILES for CID 134991331 is [B-][N+](C)(C(C)C)C(C)(C)C.
What is the InChIKey of CID 134991331?
The InChIKey is MDPVERKQBOEPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BN/c1-7(2)10(6,9)8(3,4)5/h7H,1-6H3.
What are the key properties of CID 134991331?
CID 134991331 has a molecular weight of 140.06 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991331 is sourced from PubChem (CID 134991331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).