CID 159823868

C6H18BN — CID 159823868

IUPAC—
SMILESC.C.[B]C(C)CNC
InChIInChI=1S/C4H10BN.2CH4/c1-4(5)3-6-2;;/h4,6H,3H2,1-2H3;2*1H4
InChIKeyJGPMEDSVQKRWFH-UHFFFAOYSA-N
MW115.03 g/mol
LogP1.45
Rot. Bonds2

About CID 159823868

CID 159823868 (PubChem CID 159823868) has the molecular formula C6H18BN and a molecular weight of 115.03 g/mol.

Molecular Properties

Compound NameCID 159823868
PubChem CID159823868
Molecular FormulaC6H18BN
Molecular Weight115.03 g/mol
Exact Mass115.15
IUPAC Name—
SMILESC.C.[B]C(C)CNC
InChIInChI=1S/C4H10BN.2CH4/c1-4(5)3-6-2;;/h4,6H,3H2,1-2H3;2*1H4
InChIKeyJGPMEDSVQKRWFH-UHFFFAOYSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.03
LogP ≤ 51.45
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 159823868?
The IUPAC name of CID 159823868 (CID 159823868) is not available.
What is the SMILES notation for CID 159823868?
The canonical SMILES for CID 159823868 is C.C.[B]C(C)CNC.
What is the InChIKey of CID 159823868?
The InChIKey is JGPMEDSVQKRWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BN.2CH4/c1-4(5)3-6-2;;/h4,6H,3H2,1-2H3;2*1H4.
What are the key properties of CID 159823868?
CID 159823868 has a molecular weight of 115.03 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159823868 is sourced from PubChem (CID 159823868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).