CID 13466318

C7H15BN2 — CID 13466318

IUPAC—
SMILESCCN(CC)CC.[B]C#N
InChIInChI=1S/C6H15N.CBN/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;
InChIKeyMEHBIHOSETYXDX-UHFFFAOYSA-N
MW138.02 g/mol
LogP0.98
Rot. Bonds3

About CID 13466318

CID 13466318 (PubChem CID 13466318) has the molecular formula C7H15BN2 and a molecular weight of 138.02 g/mol.

Molecular Properties

Compound NameCID 13466318
PubChem CID13466318
Molecular FormulaC7H15BN2
Molecular Weight138.02 g/mol
Exact Mass138.13
IUPAC Name—
SMILESCCN(CC)CC.[B]C#N
InChIInChI=1S/C6H15N.CBN/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;
InChIKeyMEHBIHOSETYXDX-UHFFFAOYSA-N
XLogP0.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.02
LogP ≤ 50.98
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 13466318?
The IUPAC name of CID 13466318 (CID 13466318) is not available.
What is the SMILES notation for CID 13466318?
The canonical SMILES for CID 13466318 is CCN(CC)CC.[B]C#N.
What is the InChIKey of CID 13466318?
The InChIKey is MEHBIHOSETYXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CBN/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;.
What are the key properties of CID 13466318?
CID 13466318 has a molecular weight of 138.02 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13466318 is sourced from PubChem (CID 13466318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).