CID 59325716

C8H20BN2 — CID 59325716

IUPAC—
SMILESCCN(C)C[B]CN(C)CC
InChIInChI=1S/C8H20BN2/c1-5-10(3)7-9-8-11(4)6-2/h5-8H2,1-4H3
InChIKeyJUSFYSQNSSZYNM-UHFFFAOYSA-N
MW155.07 g/mol
LogP0.51
Rot. Bonds6

About CID 59325716

CID 59325716 (PubChem CID 59325716) has the molecular formula C8H20BN2 and a molecular weight of 155.07 g/mol.

Molecular Properties

Compound NameCID 59325716
PubChem CID59325716
Molecular FormulaC8H20BN2
Molecular Weight155.07 g/mol
Exact Mass155.17
IUPAC Name—
SMILESCCN(C)C[B]CN(C)CC
InChIInChI=1S/C8H20BN2/c1-5-10(3)7-9-8-11(4)6-2/h5-8H2,1-4H3
InChIKeyJUSFYSQNSSZYNM-UHFFFAOYSA-N
XLogP0.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 59325716?
The IUPAC name of CID 59325716 (CID 59325716) is not available.
What is the SMILES notation for CID 59325716?
The canonical SMILES for CID 59325716 is CCN(C)C[B]CN(C)CC.
What is the InChIKey of CID 59325716?
The InChIKey is JUSFYSQNSSZYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20BN2/c1-5-10(3)7-9-8-11(4)6-2/h5-8H2,1-4H3.
What are the key properties of CID 59325716?
CID 59325716 has a molecular weight of 155.07 g/mol, XLogP of 0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59325716 is sourced from PubChem (CID 59325716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).