CID 88858734

C10H20BN — CID 88858734

IUPAC—
SMILES[B]C1CCCCCCC(N)CC1
InChIInChI=1S/C10H20BN/c11-9-5-3-1-2-4-6-10(12)8-7-9/h9-10H,1-8,12H2
InChIKeyCRDRUFAZLQAOJV-UHFFFAOYSA-N
MW165.09 g/mol
LogP2.41
Rot. Bonds

About CID 88858734

CID 88858734 (PubChem CID 88858734) has the molecular formula C10H20BN and a molecular weight of 165.09 g/mol.

Molecular Properties

Compound NameCID 88858734
PubChem CID88858734
Molecular FormulaC10H20BN
Molecular Weight165.09 g/mol
Exact Mass165.17
IUPAC Name—
SMILES[B]C1CCCCCCC(N)CC1
InChIInChI=1S/C10H20BN/c11-9-5-3-1-2-4-6-10(12)8-7-9/h9-10H,1-8,12H2
InChIKeyCRDRUFAZLQAOJV-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.09
LogP ≤ 52.41
H-Bond Donors ≤ 51
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 88858734?
The IUPAC name of CID 88858734 (CID 88858734) is not available.
What is the SMILES notation for CID 88858734?
The canonical SMILES for CID 88858734 is [B]C1CCCCCCC(N)CC1.
What is the InChIKey of CID 88858734?
The InChIKey is CRDRUFAZLQAOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BN/c11-9-5-3-1-2-4-6-10(12)8-7-9/h9-10H,1-8,12H2.
What are the key properties of CID 88858734?
CID 88858734 has a molecular weight of 165.09 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88858734 is sourced from PubChem (CID 88858734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).