CID 162409221

C17H28BNO — CID 162409221

IUPAC—
SMILESCN(C)C.[B]CC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H19BO.C3H9N/c1-10(2)8-12-4-6-13(7-5-12)11(3)14(16)9-15;1-4(2)3/h4-7,10-11H,8-9H2,1-3H3;1-3H3
InChIKeyOFMWXTHZADJIJT-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.32
Rot. Bonds5

About CID 162409221

CID 162409221 (PubChem CID 162409221) has the molecular formula C17H28BNO and a molecular weight of 273.23 g/mol.

Molecular Properties

Compound NameCID 162409221
PubChem CID162409221
Molecular FormulaC17H28BNO
Molecular Weight273.23 g/mol
Exact Mass273.23
IUPAC Name—
SMILESCN(C)C.[B]CC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H19BO.C3H9N/c1-10(2)8-12-4-6-13(7-5-12)11(3)14(16)9-15;1-4(2)3/h4-7,10-11H,8-9H2,1-3H3;1-3H3
InChIKeyOFMWXTHZADJIJT-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 162409221?
The IUPAC name of CID 162409221 (CID 162409221) is not available.
What is the SMILES notation for CID 162409221?
The canonical SMILES for CID 162409221 is CN(C)C.[B]CC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of CID 162409221?
The InChIKey is OFMWXTHZADJIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BO.C3H9N/c1-10(2)8-12-4-6-13(7-5-12)11(3)14(16)9-15;1-4(2)3/h4-7,10-11H,8-9H2,1-3H3;1-3H3.
What are the key properties of CID 162409221?
CID 162409221 has a molecular weight of 273.23 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162409221 is sourced from PubChem (CID 162409221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).