CID 6328236

C8H16B2N4 — CID 6328236

IUPAC—
SMILESCN(C)CCN(C)C.[B]C#N.[B]C#N
InChIInChI=1S/C6H16N2.2CBN/c1-7(2)5-6-8(3)4;2*2-1-3/h5-6H2,1-4H3;;
InChIKeyLPEFJVNFADMWBX-UHFFFAOYSA-N
MW189.87 g/mol
LogP-0.62
Rot. Bonds3

About CID 6328236

CID 6328236 (PubChem CID 6328236) has the molecular formula C8H16B2N4 and a molecular weight of 189.87 g/mol.

Molecular Properties

Compound NameCID 6328236
PubChem CID6328236
Molecular FormulaC8H16B2N4
Molecular Weight189.87 g/mol
Exact Mass190.16
IUPAC Name—
SMILESCN(C)CCN(C)C.[B]C#N.[B]C#N
InChIInChI=1S/C6H16N2.2CBN/c1-7(2)5-6-8(3)4;2*2-1-3/h5-6H2,1-4H3;;
InChIKeyLPEFJVNFADMWBX-UHFFFAOYSA-N
XLogP-0.62
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.87
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6328236?
The IUPAC name of CID 6328236 (CID 6328236) is not available.
What is the SMILES notation for CID 6328236?
The canonical SMILES for CID 6328236 is CN(C)CCN(C)C.[B]C#N.[B]C#N.
What is the InChIKey of CID 6328236?
The InChIKey is LPEFJVNFADMWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2CBN/c1-7(2)5-6-8(3)4;2*2-1-3/h5-6H2,1-4H3;;.
What are the key properties of CID 6328236?
CID 6328236 has a molecular weight of 189.87 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6328236 is sourced from PubChem (CID 6328236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).