N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine

C16H36BFN2 — CID 5326286

IUPACN-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine
SMILESCCCCN(CCCC)B(F)N(CCCC)CCCC
InChIInChI=1S/C16H36BFN2/c1-5-9-13-19(14-10-6-2)17(18)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyRWBPANXSETYCRB-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.75
Rot. Bonds14

About N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine

N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine (PubChem CID 5326286) has the molecular formula C16H36BFN2 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine
PubChem CID5326286
Molecular FormulaC16H36BFN2
Molecular Weight286.29 g/mol
Exact Mass286.30
IUPAC NameN-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine
SMILESCCCCN(CCCC)B(F)N(CCCC)CCCC
InChIInChI=1S/C16H36BFN2/c1-5-9-13-19(14-10-6-2)17(18)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKeyRWBPANXSETYCRB-UHFFFAOYSA-N
XLogP4.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine (CID 5326286) is N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine is CCCCN(CCCC)B(F)N(CCCC)CCCC.
What is the InChIKey of N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine?
The InChIKey is RWBPANXSETYCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36BFN2/c1-5-9-13-19(14-10-6-2)17(18)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3.
What are the key properties of N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine?
N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine has a molecular weight of 286.29 g/mol, XLogP of 4.75, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(dibutylamino)-fluoroboranyl]butan-1-amine is sourced from PubChem (CID 5326286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).