CID 155707292

C14H25BN2 — CID 155707292

IUPAC—
SMILESCC.[B]C1(C)CCCC2=C(C/C(=N\C)N2C)C1
InChIInChI=1S/C12H19BN2.C2H6/c1-12(13)6-4-5-10-9(8-12)7-11(14-2)15(10)3;1-2/h4-8H2,1-3H3;1-2H3/b14-11+;
InChIKeyBSFQIXYRZHMSRN-JHGYPSGKSA-N
MW232.18 g/mol
LogP3.55
Rot. Bonds

About CID 155707292

CID 155707292 (PubChem CID 155707292) has the molecular formula C14H25BN2 and a molecular weight of 232.18 g/mol.

Molecular Properties

Compound NameCID 155707292
PubChem CID155707292
Molecular FormulaC14H25BN2
Molecular Weight232.18 g/mol
Exact Mass232.21
IUPAC Name—
SMILESCC.[B]C1(C)CCCC2=C(C/C(=N\C)N2C)C1
InChIInChI=1S/C12H19BN2.C2H6/c1-12(13)6-4-5-10-9(8-12)7-11(14-2)15(10)3;1-2/h4-8H2,1-3H3;1-2H3/b14-11+;
InChIKeyBSFQIXYRZHMSRN-JHGYPSGKSA-N
XLogP3.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 53.55
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 155707292?
The IUPAC name of CID 155707292 (CID 155707292) is not available.
What is the SMILES notation for CID 155707292?
The canonical SMILES for CID 155707292 is CC.[B]C1(C)CCCC2=C(C/C(=N\C)N2C)C1.
What is the InChIKey of CID 155707292?
The InChIKey is BSFQIXYRZHMSRN-JHGYPSGKSA-N. The full InChI is InChI=1S/C12H19BN2.C2H6/c1-12(13)6-4-5-10-9(8-12)7-11(14-2)15(10)3;1-2/h4-8H2,1-3H3;1-2H3/b14-11+;.
What are the key properties of CID 155707292?
CID 155707292 has a molecular weight of 232.18 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155707292 is sourced from PubChem (CID 155707292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).