CID 89054773

C6H13BN — CID 89054773

IUPAC—
SMILESC[B]CC1CN(C)C1
InChIInChI=1S/C6H13BN/c1-7-3-6-4-8(2)5-6/h6H,3-5H2,1-2H3
InChIKeyQWBMISGRUCLNBN-UHFFFAOYSA-N
MW109.99 g/mol
LogP0.72
Rot. Bonds2

About CID 89054773

CID 89054773 (PubChem CID 89054773) has the molecular formula C6H13BN and a molecular weight of 109.99 g/mol.

Molecular Properties

Compound NameCID 89054773
PubChem CID89054773
Molecular FormulaC6H13BN
Molecular Weight109.99 g/mol
Exact Mass110.11
IUPAC Name—
SMILESC[B]CC1CN(C)C1
InChIInChI=1S/C6H13BN/c1-7-3-6-4-8(2)5-6/h6H,3-5H2,1-2H3
InChIKeyQWBMISGRUCLNBN-UHFFFAOYSA-N
XLogP0.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.99
LogP ≤ 50.72
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 89054773?
The IUPAC name of CID 89054773 (CID 89054773) is not available.
What is the SMILES notation for CID 89054773?
The canonical SMILES for CID 89054773 is C[B]CC1CN(C)C1.
What is the InChIKey of CID 89054773?
The InChIKey is QWBMISGRUCLNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BN/c1-7-3-6-4-8(2)5-6/h6H,3-5H2,1-2H3.
What are the key properties of CID 89054773?
CID 89054773 has a molecular weight of 109.99 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89054773 is sourced from PubChem (CID 89054773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).