CID 88986542

C6H14BN2O — CID 88986542

IUPAC—
SMILESCO[B]N1CCCC(N)C1
InChIInChI=1S/C6H14BN2O/c1-10-7-9-4-2-3-6(8)5-9/h6H,2-5,8H2,1H3
InChIKeyJMXKCRJDIYOGLJ-UHFFFAOYSA-N
MW141.00 g/mol
LogP-0.41
Rot. Bonds2

About CID 88986542

CID 88986542 (PubChem CID 88986542) has the molecular formula C6H14BN2O and a molecular weight of 141.00 g/mol.

Molecular Properties

Compound NameCID 88986542
PubChem CID88986542
Molecular FormulaC6H14BN2O
Molecular Weight141.00 g/mol
Exact Mass141.12
IUPAC Name—
SMILESCO[B]N1CCCC(N)C1
InChIInChI=1S/C6H14BN2O/c1-10-7-9-4-2-3-6(8)5-9/h6H,2-5,8H2,1H3
InChIKeyJMXKCRJDIYOGLJ-UHFFFAOYSA-N
XLogP-0.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 88986542 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 88986542?
The IUPAC name of CID 88986542 (CID 88986542) is not available.
What is the SMILES notation for CID 88986542?
The canonical SMILES for CID 88986542 is CO[B]N1CCCC(N)C1.
What is the InChIKey of CID 88986542?
The InChIKey is JMXKCRJDIYOGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BN2O/c1-10-7-9-4-2-3-6(8)5-9/h6H,2-5,8H2,1H3.
What are the key properties of CID 88986542?
CID 88986542 has a molecular weight of 141.00 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88986542 is sourced from PubChem (CID 88986542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).