1,4-diazabicyclo[3.3.1]nonane

C7H14N2 — CID 15140257

IUPAC1,4-diazabicyclo[3.3.1]nonane
SMILESC1CC2CN(C1)CCN2
InChIInChI=1S/C7H14N2/c1-2-7-6-9(4-1)5-3-8-7/h7-8H,1-6H2
InChIKeyNYPUYWSDUIENGC-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.05
Rot. Bonds

About 1,4-diazabicyclo[3.3.1]nonane

1,4-diazabicyclo[3.3.1]nonane (PubChem CID 15140257) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1,4-diazabicyclo[3.3.1]nonane
PubChem CID15140257
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,4-diazabicyclo[3.3.1]nonane
SMILESC1CC2CN(C1)CCN2
InChIInChI=1S/C7H14N2/c1-2-7-6-9(4-1)5-3-8-7/h7-8H,1-6H2
InChIKeyNYPUYWSDUIENGC-UHFFFAOYSA-N
XLogP0.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.3.1]nonane?
The IUPAC name of 1,4-diazabicyclo[3.3.1]nonane (CID 15140257) is 1,4-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 1,4-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 1,4-diazabicyclo[3.3.1]nonane is C1CC2CN(C1)CCN2.
What is the InChIKey of 1,4-diazabicyclo[3.3.1]nonane?
The InChIKey is NYPUYWSDUIENGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-7-6-9(4-1)5-3-8-7/h7-8H,1-6H2.
What are the key properties of 1,4-diazabicyclo[3.3.1]nonane?
1,4-diazabicyclo[3.3.1]nonane has a molecular weight of 126.20 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 15140257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).