1-aminopentyl(trifluoro)boranuide

C5H12BF3N- — CID 170991596

IUPAC1-aminopentyl(trifluoro)boranuide
SMILESCCCCC(N)[B-](F)(F)F
InChIInChI=1S/C5H12BF3N/c1-2-3-4-5(10)6(7,8)9/h5H,2-4,10H2,1H3/q-1
InChIKeyUXWBJIOQBWYCMM-UHFFFAOYSA-N
MW153.96 g/mol
LogP1.89
Rot. Bonds4

About 1-aminopentyl(trifluoro)boranuide

1-aminopentyl(trifluoro)boranuide (PubChem CID 170991596) has the molecular formula C5H12BF3N- and a molecular weight of 153.96 g/mol. Its IUPAC name is 1-aminopentyl(trifluoro)boranuide.

Molecular Properties

Compound Name1-aminopentyl(trifluoro)boranuide
PubChem CID170991596
Molecular FormulaC5H12BF3N-
Molecular Weight153.96 g/mol
Exact Mass154.10
IUPAC Name1-aminopentyl(trifluoro)boranuide
SMILESCCCCC(N)[B-](F)(F)F
InChIInChI=1S/C5H12BF3N/c1-2-3-4-5(10)6(7,8)9/h5H,2-4,10H2,1H3/q-1
InChIKeyUXWBJIOQBWYCMM-UHFFFAOYSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.96
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Butylammonium tetrafluoroborate
CID 51438
6-difluoroboranyl-N-fluorohexan-1-amine
CID 87481946
(1R)-1,4-difluoropentan-1-amine
CID 155245360
Butan-1-amine;hydron;tetrafluoroborate
CID 174619218
Trifluoro-[(pentylamino)methyl]boranuide
CID 133668201
1,5-Diaminopentyl(trifluoro)boranuide
CID 159192960
(5-Amino-2-methylpentan-2-yl)-trifluoroboranuide
CID 165993567
CID 21338175
CID 21338175
Butan-1-amine;trifluoroborane
CID 22274789
CID 57236981
CID 57236981
CID 59973286
CID 59973286
Hexan-1-amine;trifluoroborane
CID 87481947

Frequently Asked Questions

What is the IUPAC name of 1-aminopentyl(trifluoro)boranuide?
The IUPAC name of 1-aminopentyl(trifluoro)boranuide (CID 170991596) is 1-aminopentyl(trifluoro)boranuide.
What is the SMILES notation for 1-aminopentyl(trifluoro)boranuide?
The canonical SMILES for 1-aminopentyl(trifluoro)boranuide is CCCCC(N)[B-](F)(F)F.
What is the InChIKey of 1-aminopentyl(trifluoro)boranuide?
The InChIKey is UXWBJIOQBWYCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BF3N/c1-2-3-4-5(10)6(7,8)9/h5H,2-4,10H2,1H3/q-1.
What are the key properties of 1-aminopentyl(trifluoro)boranuide?
1-aminopentyl(trifluoro)boranuide has a molecular weight of 153.96 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopentyl(trifluoro)boranuide is sourced from PubChem (CID 170991596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).