CID 163268598

C16H33BN2 — CID 163268598

IUPAC—
SMILESCC.CC.[B]C1(C)CCC2/C(=N/C)N(C)CCC2C1
InChIInChI=1S/C12H21BN2.2C2H6/c1-12(13)6-4-10-9(8-12)5-7-15(3)11(10)14-2;2*1-2/h9-10H,4-8H2,1-3H3;2*1-2H3/b14-11-;;
InChIKeyDFSQXUPSIDJXIA-LVDFRVDWSA-N
MW264.27 g/mol
LogP4.17
Rot. Bonds

About CID 163268598

CID 163268598 (PubChem CID 163268598) has the molecular formula C16H33BN2 and a molecular weight of 264.27 g/mol.

Molecular Properties

Compound NameCID 163268598
PubChem CID163268598
Molecular FormulaC16H33BN2
Molecular Weight264.27 g/mol
Exact Mass264.27
IUPAC Name—
SMILESCC.CC.[B]C1(C)CCC2/C(=N/C)N(C)CCC2C1
InChIInChI=1S/C12H21BN2.2C2H6/c1-12(13)6-4-10-9(8-12)5-7-15(3)11(10)14-2;2*1-2/h9-10H,4-8H2,1-3H3;2*1-2H3/b14-11-;;
InChIKeyDFSQXUPSIDJXIA-LVDFRVDWSA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163268598?
The IUPAC name of CID 163268598 (CID 163268598) is not available.
What is the SMILES notation for CID 163268598?
The canonical SMILES for CID 163268598 is CC.CC.[B]C1(C)CCC2/C(=N/C)N(C)CCC2C1.
What is the InChIKey of CID 163268598?
The InChIKey is DFSQXUPSIDJXIA-LVDFRVDWSA-N. The full InChI is InChI=1S/C12H21BN2.2C2H6/c1-12(13)6-4-10-9(8-12)5-7-15(3)11(10)14-2;2*1-2/h9-10H,4-8H2,1-3H3;2*1-2H3/b14-11-;;.
What are the key properties of CID 163268598?
CID 163268598 has a molecular weight of 264.27 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163268598 is sourced from PubChem (CID 163268598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).