CID 87640020

C10H17BN — CID 87640020

IUPAC—
SMILESCC(C)(C)N.[B].c1ccccc1
InChIInChI=1S/C6H6.C4H11N.B/c1-2-4-6-5-3-1;1-4(2,3)5;/h1-6H;5H2,1-3H3;
InChIKeyXTLPZSGPAOMABB-UHFFFAOYSA-N
MW162.06 g/mol
LogP2.05
Rot. Bonds

About CID 87640020

CID 87640020 (PubChem CID 87640020) has the molecular formula C10H17BN and a molecular weight of 162.06 g/mol.

Molecular Properties

Compound NameCID 87640020
PubChem CID87640020
Molecular FormulaC10H17BN
Molecular Weight162.06 g/mol
Exact Mass162.15
IUPAC Name—
SMILESCC(C)(C)N.[B].c1ccccc1
InChIInChI=1S/C6H6.C4H11N.B/c1-2-4-6-5-3-1;1-4(2,3)5;/h1-6H;5H2,1-3H3;
InChIKeyXTLPZSGPAOMABB-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 52.05
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 87640020?
The IUPAC name of CID 87640020 (CID 87640020) is not available.
What is the SMILES notation for CID 87640020?
The canonical SMILES for CID 87640020 is CC(C)(C)N.[B].c1ccccc1.
What is the InChIKey of CID 87640020?
The InChIKey is XTLPZSGPAOMABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H11N.B/c1-2-4-6-5-3-1;1-4(2,3)5;/h1-6H;5H2,1-3H3;.
What are the key properties of CID 87640020?
CID 87640020 has a molecular weight of 162.06 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87640020 is sourced from PubChem (CID 87640020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).