1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane

C8H16N4+2 — CID 20667384

IUPAC1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane
SMILESC[N+]12CN3C[N+]4(C)CN(C1)C4C32
InChIInChI=1S/C8H16N4/c1-11-3-9-6-12(2)4-10(5-11)8(12)7(9)11/h7-8H,3-6H2,1-2H3/q+2
InChIKeyJBTCUYNJPWAZCU-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.98
Rot. Bonds

About 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane

1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane (PubChem CID 20667384) has the molecular formula C8H16N4+2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane.

Molecular Properties

Compound Name1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane
PubChem CID20667384
Molecular FormulaC8H16N4+2
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane
SMILESC[N+]12CN3C[N+]4(C)CN(C1)C4C32
InChIInChI=1S/C8H16N4/c1-11-3-9-6-12(2)4-10(5-11)8(12)7(9)11/h7-8H,3-6H2,1-2H3/q+2
InChIKeyJBTCUYNJPWAZCU-UHFFFAOYSA-N
XLogP-0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane?
The IUPAC name of 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane (CID 20667384) is 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane.
What is the SMILES notation for 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane?
The canonical SMILES for 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane is C[N+]12CN3C[N+]4(C)CN(C1)C4C32.
What is the InChIKey of 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane?
The InChIKey is JBTCUYNJPWAZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-11-3-9-6-12(2)4-10(5-11)8(12)7(9)11/h7-8H,3-6H2,1-2H3/q+2.
What are the key properties of 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane?
1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane has a molecular weight of 168.24 g/mol, XLogP of -0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,7-diaza-1,5-diazoniatetracyclo[5.2.1.03,9.05,8]decane is sourced from PubChem (CID 20667384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).