CID 168928654

C12H24BN — CID 168928654

IUPAC—
SMILES[B]C1(C)CCC(C)(C)CN(C(C)C)C1
InChIInChI=1S/C12H24BN/c1-10(2)14-8-11(3,4)6-7-12(5,13)9-14/h10H,6-9H2,1-5H3
InChIKeyXKRFPPKJMXKMRD-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.86
Rot. Bonds1

About CID 168928654

CID 168928654 (PubChem CID 168928654) has the molecular formula C12H24BN and a molecular weight of 193.14 g/mol.

Molecular Properties

Compound NameCID 168928654
PubChem CID168928654
Molecular FormulaC12H24BN
Molecular Weight193.14 g/mol
Exact Mass193.20
IUPAC Name—
SMILES[B]C1(C)CCC(C)(C)CN(C(C)C)C1
InChIInChI=1S/C12H24BN/c1-10(2)14-8-11(3,4)6-7-12(5,13)9-14/h10H,6-9H2,1-5H3
InChIKeyXKRFPPKJMXKMRD-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of CID 168928654?
The IUPAC name of CID 168928654 (CID 168928654) is not available.
What is the SMILES notation for CID 168928654?
The canonical SMILES for CID 168928654 is [B]C1(C)CCC(C)(C)CN(C(C)C)C1.
What is the InChIKey of CID 168928654?
The InChIKey is XKRFPPKJMXKMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BN/c1-10(2)14-8-11(3,4)6-7-12(5,13)9-14/h10H,6-9H2,1-5H3.
What are the key properties of CID 168928654?
CID 168928654 has a molecular weight of 193.14 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168928654 is sourced from PubChem (CID 168928654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).