CID 173493559

C15H33BN4 — CID 173493559

IUPAC—
SMILES[B]CN1CCN(CC)CCN(CC)CCN(CC)CC1
InChIInChI=1S/C15H33BN4/c1-4-17-7-9-18(5-2)11-13-20(15-16)14-12-19(6-3)10-8-17/h4-15H2,1-3H3
InChIKeyQLJKUSHYCBLOFV-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.39
Rot. Bonds4

About CID 173493559

CID 173493559 (PubChem CID 173493559) has the molecular formula C15H33BN4 and a molecular weight of 280.27 g/mol.

Molecular Properties

Compound NameCID 173493559
PubChem CID173493559
Molecular FormulaC15H33BN4
Molecular Weight280.27 g/mol
Exact Mass280.28
IUPAC Name—
SMILES[B]CN1CCN(CC)CCN(CC)CCN(CC)CC1
InChIInChI=1S/C15H33BN4/c1-4-17-7-9-18(5-2)11-13-20(15-16)14-12-19(6-3)10-8-17/h4-15H2,1-3H3
InChIKeyQLJKUSHYCBLOFV-UHFFFAOYSA-N
XLogP0.39
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 173493559?
The IUPAC name of CID 173493559 (CID 173493559) is not available.
What is the SMILES notation for CID 173493559?
The canonical SMILES for CID 173493559 is [B]CN1CCN(CC)CCN(CC)CCN(CC)CC1.
What is the InChIKey of CID 173493559?
The InChIKey is QLJKUSHYCBLOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33BN4/c1-4-17-7-9-18(5-2)11-13-20(15-16)14-12-19(6-3)10-8-17/h4-15H2,1-3H3.
What are the key properties of CID 173493559?
CID 173493559 has a molecular weight of 280.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173493559 is sourced from PubChem (CID 173493559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).