CID 68543875

C20H43B3N3 — CID 68543875

IUPAC—
SMILESCCCCCCN1[B]N(CCCCCC)[B]N(CC(CC)CCCC)[B]1
InChIInChI=1S/C20H43B3N3/c1-5-9-12-14-17-24-21-25(18-15-13-10-6-2)23-26(22-24)19-20(8-4)16-11-7-3/h20H,5-19H2,1-4H3
InChIKeyUBOCSMCJELFANM-UHFFFAOYSA-N
MW358.02 g/mol
LogP4.89
Rot. Bonds16

About CID 68543875

CID 68543875 (PubChem CID 68543875) has the molecular formula C20H43B3N3 and a molecular weight of 358.02 g/mol.

Molecular Properties

Compound NameCID 68543875
PubChem CID68543875
Molecular FormulaC20H43B3N3
Molecular Weight358.02 g/mol
Exact Mass358.37
IUPAC Name—
SMILESCCCCCCN1[B]N(CCCCCC)[B]N(CC(CC)CCCC)[B]1
InChIInChI=1S/C20H43B3N3/c1-5-9-12-14-17-24-21-25(18-15-13-10-6-2)23-26(22-24)19-20(8-4)16-11-7-3/h20H,5-19H2,1-4H3
InChIKeyUBOCSMCJELFANM-UHFFFAOYSA-N
XLogP4.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.02
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 68543875?
The IUPAC name of CID 68543875 (CID 68543875) is not available.
What is the SMILES notation for CID 68543875?
The canonical SMILES for CID 68543875 is CCCCCCN1[B]N(CCCCCC)[B]N(CC(CC)CCCC)[B]1.
What is the InChIKey of CID 68543875?
The InChIKey is UBOCSMCJELFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43B3N3/c1-5-9-12-14-17-24-21-25(18-15-13-10-6-2)23-26(22-24)19-20(8-4)16-11-7-3/h20H,5-19H2,1-4H3.
What are the key properties of CID 68543875?
CID 68543875 has a molecular weight of 358.02 g/mol, XLogP of 4.89, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68543875 is sourced from PubChem (CID 68543875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).