4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate

C10H15BF4N3- — CID 19078850

IUPAC4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C=C1.F[B-](F)(F)F
InChIInChI=1S/C10H15N3.BF4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;2-1(3,4)5/h5,7-8H,3-4,6H2,1-2H3;/q;-1
InChIKeyFVKJGIOYWKGWIN-UHFFFAOYSA-N
MW264.06 g/mol
LogP3.14
Rot. Bonds3

About 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate

4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate (PubChem CID 19078850) has the molecular formula C10H15BF4N3- and a molecular weight of 264.06 g/mol. Its IUPAC name is 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate.

Molecular Properties

Compound Name4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate
PubChem CID19078850
Molecular FormulaC10H15BF4N3-
Molecular Weight264.06 g/mol
Exact Mass264.13
IUPAC Name4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate
SMILESCCN(CC)C1=CCC(=[N+]=[N-])C=C1.F[B-](F)(F)F
InChIInChI=1S/C10H15N3.BF4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;2-1(3,4)5/h5,7-8H,3-4,6H2,1-2H3;/q;-1
InChIKeyFVKJGIOYWKGWIN-UHFFFAOYSA-N
XLogP3.14
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate?
The IUPAC name of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate (CID 19078850) is 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate.
What is the SMILES notation for 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate?
The canonical SMILES for 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate is CCN(CC)C1=CCC(=[N+]=[N-])C=C1.F[B-](F)(F)F.
What is the InChIKey of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate?
The InChIKey is FVKJGIOYWKGWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.BF4/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;2-1(3,4)5/h5,7-8H,3-4,6H2,1-2H3;/q;-1.
What are the key properties of 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate?
4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate has a molecular weight of 264.06 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N-diethylcyclohexa-1,5-dien-1-amine tetrafluoroborate is sourced from PubChem (CID 19078850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).