CID 147843082

C16H29BN3O3 — CID 147843082

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1cnn(CCCN2CCOCC2)c1
InChIInChI=1S/C16H29BN3O3/c1-15(2,21)16(3,4)23-17-14-12-18-20(13-14)7-5-6-19-8-10-22-11-9-19/h12-13,21H,5-11H2,1-4H3
InChIKeyAZPFVCWYPLZXLD-UHFFFAOYSA-N
MW322.24 g/mol
LogP0.42
Rot. Bonds8

About CID 147843082

CID 147843082 (PubChem CID 147843082) has the molecular formula C16H29BN3O3 and a molecular weight of 322.24 g/mol.

Molecular Properties

Compound NameCID 147843082
PubChem CID147843082
Molecular FormulaC16H29BN3O3
Molecular Weight322.24 g/mol
Exact Mass322.23
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1cnn(CCCN2CCOCC2)c1
InChIInChI=1S/C16H29BN3O3/c1-15(2,21)16(3,4)23-17-14-12-18-20(13-14)7-5-6-19-8-10-22-11-9-19/h12-13,21H,5-11H2,1-4H3
InChIKeyAZPFVCWYPLZXLD-UHFFFAOYSA-N
XLogP0.42
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 147843082?
The IUPAC name of CID 147843082 (CID 147843082) is not available.
What is the SMILES notation for CID 147843082?
The canonical SMILES for CID 147843082 is CC(C)(O)C(C)(C)O[B]c1cnn(CCCN2CCOCC2)c1.
What is the InChIKey of CID 147843082?
The InChIKey is AZPFVCWYPLZXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BN3O3/c1-15(2,21)16(3,4)23-17-14-12-18-20(13-14)7-5-6-19-8-10-22-11-9-19/h12-13,21H,5-11H2,1-4H3.
What are the key properties of CID 147843082?
CID 147843082 has a molecular weight of 322.24 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147843082 is sourced from PubChem (CID 147843082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).