CID 174466109

C14H24BNO2 — CID 174466109

IUPAC—
SMILESO.O.[B]c1ccc(CN(C)C2CCCCC2)cc1
InChIInChI=1S/C14H20BN.2H2O/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12;;/h7-10,14H,2-6,11H2,1H3;2*1H2
InChIKeyUQTOHZPSRFHRTB-UHFFFAOYSA-N
MW249.16 g/mol
LogP0.60
Rot. Bonds3

About CID 174466109

CID 174466109 (PubChem CID 174466109) has the molecular formula C14H24BNO2 and a molecular weight of 249.16 g/mol.

Molecular Properties

Compound NameCID 174466109
PubChem CID174466109
Molecular FormulaC14H24BNO2
Molecular Weight249.16 g/mol
Exact Mass249.19
IUPAC Name—
SMILESO.O.[B]c1ccc(CN(C)C2CCCCC2)cc1
InChIInChI=1S/C14H20BN.2H2O/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12;;/h7-10,14H,2-6,11H2,1H3;2*1H2
InChIKeyUQTOHZPSRFHRTB-UHFFFAOYSA-N
XLogP0.60
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 50.60
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 174466109?
The IUPAC name of CID 174466109 (CID 174466109) is not available.
What is the SMILES notation for CID 174466109?
The canonical SMILES for CID 174466109 is O.O.[B]c1ccc(CN(C)C2CCCCC2)cc1.
What is the InChIKey of CID 174466109?
The InChIKey is UQTOHZPSRFHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BN.2H2O/c1-16(14-5-3-2-4-6-14)11-12-7-9-13(15)10-8-12;;/h7-10,14H,2-6,11H2,1H3;2*1H2.
What are the key properties of CID 174466109?
CID 174466109 has a molecular weight of 249.16 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174466109 is sourced from PubChem (CID 174466109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).