CID 162266881

C14H22BN2 — CID 162266881

IUPAC—
SMILESC.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.[B]
InChIInChI=1S/C13H18N2.CH4.B/c1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;;/h5-9H,1-4H3,(H,14,15);1H4;
InChIKeyOUGDDMUDCHTRCB-UHFFFAOYSA-N
MW229.16 g/mol
LogP4.07
Rot. Bonds2

About CID 162266881

CID 162266881 (PubChem CID 162266881) has the molecular formula C14H22BN2 and a molecular weight of 229.16 g/mol.

Molecular Properties

Compound NameCID 162266881
PubChem CID162266881
Molecular FormulaC14H22BN2
Molecular Weight229.16 g/mol
Exact Mass229.19
IUPAC Name—
SMILESC.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.[B]
InChIInChI=1S/C13H18N2.CH4.B/c1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;;/h5-9H,1-4H3,(H,14,15);1H4;
InChIKeyOUGDDMUDCHTRCB-UHFFFAOYSA-N
XLogP4.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 54.07
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 162266881?
The IUPAC name of CID 162266881 (CID 162266881) is not available.
What is the SMILES notation for CID 162266881?
The canonical SMILES for CID 162266881 is C.CC(C)c1ccc2nc(C(C)C)[nH]c2c1.[B].
What is the InChIKey of CID 162266881?
The InChIKey is OUGDDMUDCHTRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.CH4.B/c1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;;/h5-9H,1-4H3,(H,14,15);1H4;.
What are the key properties of CID 162266881?
CID 162266881 has a molecular weight of 229.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162266881 is sourced from PubChem (CID 162266881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).