CID 89164163

C10H18BN3O — CID 89164163

IUPAC—
SMILES[B]CCCCn1nc(C)n(C(C)C)c1=O
InChIInChI=1S/C10H18BN3O/c1-8(2)14-9(3)12-13(10(14)15)7-5-4-6-11/h8H,4-7H2,1-3H3
InChIKeyDWBZBOUVNADQJM-UHFFFAOYSA-N
MW207.09 g/mol
LogP1.30
Rot. Bonds5

About CID 89164163

CID 89164163 (PubChem CID 89164163) has the molecular formula C10H18BN3O and a molecular weight of 207.09 g/mol.

Molecular Properties

Compound NameCID 89164163
PubChem CID89164163
Molecular FormulaC10H18BN3O
Molecular Weight207.09 g/mol
Exact Mass207.15
IUPAC Name—
SMILES[B]CCCCn1nc(C)n(C(C)C)c1=O
InChIInChI=1S/C10H18BN3O/c1-8(2)14-9(3)12-13(10(14)15)7-5-4-6-11/h8H,4-7H2,1-3H3
InChIKeyDWBZBOUVNADQJM-UHFFFAOYSA-N
XLogP1.30
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89164163?
The IUPAC name of CID 89164163 (CID 89164163) is not available.
What is the SMILES notation for CID 89164163?
The canonical SMILES for CID 89164163 is [B]CCCCn1nc(C)n(C(C)C)c1=O.
What is the InChIKey of CID 89164163?
The InChIKey is DWBZBOUVNADQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BN3O/c1-8(2)14-9(3)12-13(10(14)15)7-5-4-6-11/h8H,4-7H2,1-3H3.
What are the key properties of CID 89164163?
CID 89164163 has a molecular weight of 207.09 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89164163 is sourced from PubChem (CID 89164163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).