CID 173493551

C14H30B2N4 — CID 173493551

IUPAC—
SMILES[B]CN1CCN(CC)CCN(C[B])CCN(CC)CC1
InChIInChI=1S/C14H30B2N4/c1-3-17-5-9-19(13-15)11-7-18(4-2)8-12-20(14-16)10-6-17/h3-14H2,1-2H3
InChIKeyBJNCRSRLAWFEPF-UHFFFAOYSA-N
MW276.05 g/mol
LogP-0.50
Rot. Bonds4

About CID 173493551

CID 173493551 (PubChem CID 173493551) has the molecular formula C14H30B2N4 and a molecular weight of 276.05 g/mol.

Molecular Properties

Compound NameCID 173493551
PubChem CID173493551
Molecular FormulaC14H30B2N4
Molecular Weight276.05 g/mol
Exact Mass276.27
IUPAC Name—
SMILES[B]CN1CCN(CC)CCN(C[B])CCN(CC)CC1
InChIInChI=1S/C14H30B2N4/c1-3-17-5-9-19(13-15)11-7-18(4-2)8-12-20(14-16)10-6-17/h3-14H2,1-2H3
InChIKeyBJNCRSRLAWFEPF-UHFFFAOYSA-N
XLogP-0.50
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.05
LogP ≤ 5-0.50
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 173493551?
The IUPAC name of CID 173493551 (CID 173493551) is not available.
What is the SMILES notation for CID 173493551?
The canonical SMILES for CID 173493551 is [B]CN1CCN(CC)CCN(C[B])CCN(CC)CC1.
What is the InChIKey of CID 173493551?
The InChIKey is BJNCRSRLAWFEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30B2N4/c1-3-17-5-9-19(13-15)11-7-18(4-2)8-12-20(14-16)10-6-17/h3-14H2,1-2H3.
What are the key properties of CID 173493551?
CID 173493551 has a molecular weight of 276.05 g/mol, XLogP of -0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173493551 is sourced from PubChem (CID 173493551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).