CID 173312764

C2H7BKN — CID 173312764

IUPAC—
SMILES[B]N(C)C.[H-].[K+]
InChIInChI=1S/C2H6BN.K.H/c1-4(2)3;;/h1-2H3;;/q;+1;-1
InChIKeySFQLRJQQAHUXOF-UHFFFAOYSA-N
MW94.99 g/mol
LogP-3.25
Rot. Bonds

About CID 173312764

CID 173312764 (PubChem CID 173312764) has the molecular formula C2H7BKN and a molecular weight of 94.99 g/mol.

Molecular Properties

Compound NameCID 173312764
PubChem CID173312764
Molecular FormulaC2H7BKN
Molecular Weight94.99 g/mol
Exact Mass95.03
IUPAC Name—
SMILES[B]N(C)C.[H-].[K+]
InChIInChI=1S/C2H6BN.K.H/c1-4(2)3;;/h1-2H3;;/q;+1;-1
InChIKeySFQLRJQQAHUXOF-UHFFFAOYSA-N
XLogP-3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.99
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 173312764 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 158685619
CID 158685619
potassium;N,N-dimethylmethanamine;hydride;hydrochloride
CID 174920095
CID 14482817
CID 14482817
potassium;N,N-dimethylmethanamine;hydride;silicic acid
CID 174298236
dimethylaminoaluminum(2+);hydride
CID 174535523
potassium N-methanidyl-N-methylmethanamine
CID 58636134
dipotassium hydride
CID 169426950
nonatriacontapotassium;hydride
CID 159979106
tritriacontapotassium;hydride
CID 161318904
N,N-dimethylmethanamine;trihydrochloride
CID 173321410
potassium;fluoromethane;hydride
CID 174329846
potassium;hydride;methanamine
CID 173303983

Frequently Asked Questions

What is the IUPAC name of CID 173312764?
The IUPAC name of CID 173312764 (CID 173312764) is not available.
What is the SMILES notation for CID 173312764?
The canonical SMILES for CID 173312764 is [B]N(C)C.[H-].[K+].
What is the InChIKey of CID 173312764?
The InChIKey is SFQLRJQQAHUXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BN.K.H/c1-4(2)3;;/h1-2H3;;/q;+1;-1.
What are the key properties of CID 173312764?
CID 173312764 has a molecular weight of 94.99 g/mol, XLogP of -3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173312764 is sourced from PubChem (CID 173312764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).