1,5-diaminopentyl(trifluoro)boranuide

C5H13BF3N2- — CID 159192960

IUPAC1,5-diaminopentyl(trifluoro)boranuide
SMILESNCCCCC(N)[B-](F)(F)F
InChIInChI=1S/C5H13BF3N2/c7-6(8,9)5(11)3-1-2-4-10/h5H,1-4,10-11H2/q-1
InChIKeyTXTHCSRHVTUOLJ-UHFFFAOYSA-N
MW168.98 g/mol
LogP0.83
Rot. Bonds5

About 1,5-diaminopentyl(trifluoro)boranuide

1,5-diaminopentyl(trifluoro)boranuide (PubChem CID 159192960) has the molecular formula C5H13BF3N2- and a molecular weight of 168.98 g/mol. Its IUPAC name is 1,5-diaminopentyl(trifluoro)boranuide.

Molecular Properties

Compound Name1,5-diaminopentyl(trifluoro)boranuide
PubChem CID159192960
Molecular FormulaC5H13BF3N2-
Molecular Weight168.98 g/mol
Exact Mass169.11
IUPAC Name1,5-diaminopentyl(trifluoro)boranuide
SMILESNCCCCC(N)[B-](F)(F)F
InChIInChI=1S/C5H13BF3N2/c7-6(8,9)5(11)3-1-2-4-10/h5H,1-4,10-11H2/q-1
InChIKeyTXTHCSRHVTUOLJ-UHFFFAOYSA-N
XLogP0.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.98
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,5-diaminopentyl(trifluoro)boranuide?
The IUPAC name of 1,5-diaminopentyl(trifluoro)boranuide (CID 159192960) is 1,5-diaminopentyl(trifluoro)boranuide.
What is the SMILES notation for 1,5-diaminopentyl(trifluoro)boranuide?
The canonical SMILES for 1,5-diaminopentyl(trifluoro)boranuide is NCCCCC(N)[B-](F)(F)F.
What is the InChIKey of 1,5-diaminopentyl(trifluoro)boranuide?
The InChIKey is TXTHCSRHVTUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BF3N2/c7-6(8,9)5(11)3-1-2-4-10/h5H,1-4,10-11H2/q-1.
What are the key properties of 1,5-diaminopentyl(trifluoro)boranuide?
1,5-diaminopentyl(trifluoro)boranuide has a molecular weight of 168.98 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminopentyl(trifluoro)boranuide is sourced from PubChem (CID 159192960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).