CID 134979228

C8H21BN2Sn — CID 134979228

IUPAC—
SMILESCN1[B]N(C)CCC1.C[Sn](C)C
InChIInChI=1S/C5H12BN2.3CH3.Sn/c1-7-4-3-5-8(2)6-7;;;;/h3-5H2,1-2H3;3*1H3;
InChIKeyGQMMVAQFSQSZGF-UHFFFAOYSA-N
MW274.79 g/mol
LogP1.16
Rot. Bonds

About CID 134979228

CID 134979228 (PubChem CID 134979228) has the molecular formula C8H21BN2Sn and a molecular weight of 274.79 g/mol.

Molecular Properties

Compound NameCID 134979228
PubChem CID134979228
Molecular FormulaC8H21BN2Sn
Molecular Weight274.79 g/mol
Exact Mass276.08
IUPAC Name—
SMILESCN1[B]N(C)CCC1.C[Sn](C)C
InChIInChI=1S/C5H12BN2.3CH3.Sn/c1-7-4-3-5-8(2)6-7;;;;/h3-5H2,1-2H3;3*1H3;
InChIKeyGQMMVAQFSQSZGF-UHFFFAOYSA-N
XLogP1.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 134979228?
The IUPAC name of CID 134979228 (CID 134979228) is not available.
What is the SMILES notation for CID 134979228?
The canonical SMILES for CID 134979228 is CN1[B]N(C)CCC1.C[Sn](C)C.
What is the InChIKey of CID 134979228?
The InChIKey is GQMMVAQFSQSZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BN2.3CH3.Sn/c1-7-4-3-5-8(2)6-7;;;;/h3-5H2,1-2H3;3*1H3;.
What are the key properties of CID 134979228?
CID 134979228 has a molecular weight of 274.79 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134979228 is sourced from PubChem (CID 134979228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).