CID 14482817

C4H12BN — CID 14482817

IUPAC—
SMILESCN(C)C.[B]C
InChIInChI=1S/C3H9N.CH3B/c1-4(2)3;1-2/h1-3H3;1H3
InChIKeyHWEZGWFMALVWEW-UHFFFAOYSA-N
MW84.96 g/mol
LogP0.38
Rot. Bonds

About CID 14482817

CID 14482817 (PubChem CID 14482817) has the molecular formula C4H12BN and a molecular weight of 84.96 g/mol.

Molecular Properties

Compound NameCID 14482817
PubChem CID14482817
Molecular FormulaC4H12BN
Molecular Weight84.96 g/mol
Exact Mass85.11
IUPAC Name—
SMILESCN(C)C.[B]C
InChIInChI=1S/C3H9N.CH3B/c1-4(2)3;1-2/h1-3H3;1H3
InChIKeyHWEZGWFMALVWEW-UHFFFAOYSA-N
XLogP0.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.96
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 14482817?
The IUPAC name of CID 14482817 (CID 14482817) is not available.
What is the SMILES notation for CID 14482817?
The canonical SMILES for CID 14482817 is CN(C)C.[B]C.
What is the InChIKey of CID 14482817?
The InChIKey is HWEZGWFMALVWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH3B/c1-4(2)3;1-2/h1-3H3;1H3.
What are the key properties of CID 14482817?
CID 14482817 has a molecular weight of 84.96 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14482817 is sourced from PubChem (CID 14482817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).