CID 87283581

C7H17BN2Si — CID 87283581

IUPAC—
SMILESCC(C)(N)[Si](C)(C)C.[B]C#N
InChIInChI=1S/C6H17NSi.CBN/c1-6(2,7)8(3,4)5;2-1-3/h7H2,1-5H3;
InChIKeyKQACJLYDJXNBQS-UHFFFAOYSA-N
MW168.12 g/mol
LogP1.24
Rot. Bonds1

About CID 87283581

CID 87283581 (PubChem CID 87283581) has the molecular formula C7H17BN2Si and a molecular weight of 168.12 g/mol.

Molecular Properties

Compound NameCID 87283581
PubChem CID87283581
Molecular FormulaC7H17BN2Si
Molecular Weight168.12 g/mol
Exact Mass168.13
IUPAC Name—
SMILESCC(C)(N)[Si](C)(C)C.[B]C#N
InChIInChI=1S/C6H17NSi.CBN/c1-6(2,7)8(3,4)5;2-1-3/h7H2,1-5H3;
InChIKeyKQACJLYDJXNBQS-UHFFFAOYSA-N
XLogP1.24
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 87283581?
The IUPAC name of CID 87283581 (CID 87283581) is not available.
What is the SMILES notation for CID 87283581?
The canonical SMILES for CID 87283581 is CC(C)(N)[Si](C)(C)C.[B]C#N.
What is the InChIKey of CID 87283581?
The InChIKey is KQACJLYDJXNBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NSi.CBN/c1-6(2,7)8(3,4)5;2-1-3/h7H2,1-5H3;.
What are the key properties of CID 87283581?
CID 87283581 has a molecular weight of 168.12 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87283581 is sourced from PubChem (CID 87283581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).