3,8-diazabicyclo[5.1.1]nonane

C7H14N2 — CID 118209859

IUPAC3,8-diazabicyclo[5.1.1]nonane
SMILESC1CNCC2CC(C1)N2
InChIInChI=1S/C7H14N2/c1-2-6-4-7(9-6)5-8-3-1/h6-9H,1-5H2
InChIKeyVYKLQLYWVIOTBC-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.10
Rot. Bonds

About 3,8-diazabicyclo[5.1.1]nonane

3,8-diazabicyclo[5.1.1]nonane (PubChem CID 118209859) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,8-diazabicyclo[5.1.1]nonane.

Molecular Properties

Compound Name3,8-diazabicyclo[5.1.1]nonane
PubChem CID118209859
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3,8-diazabicyclo[5.1.1]nonane
SMILESC1CNCC2CC(C1)N2
InChIInChI=1S/C7H14N2/c1-2-6-4-7(9-6)5-8-3-1/h6-9H,1-5H2
InChIKeyVYKLQLYWVIOTBC-UHFFFAOYSA-N
XLogP0.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-3,6-diazabicyclo[3.1.1]heptane
CID 98125649
3,6,8,15-tetrazabicyclo[9.3.1]pentadecane
CID 175301929
6-azabicyclo[3.1.1]heptane;methanol
CID 169176721
piperidin-3-ol;dihydrochloride
CID 67374500
3,6,9,16,21-pentazabicyclo[16.2.1]henicosane-20-thiol
CID 141339702
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
(3S)-piperidine-3-thiol
CID 87194956
(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane
CID 135395892
ethane;piperidin-3-ol;pyrrolidine
CID 143998212
(3S)-3-cyclohexylpiperidine
CID 7016473
3-methanidylpiperidine;yttrium
CID 59057892
piperidine-3-thiol;hydrochloride
CID 56604780

Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[5.1.1]nonane?
The IUPAC name of 3,8-diazabicyclo[5.1.1]nonane (CID 118209859) is 3,8-diazabicyclo[5.1.1]nonane.
What is the SMILES notation for 3,8-diazabicyclo[5.1.1]nonane?
The canonical SMILES for 3,8-diazabicyclo[5.1.1]nonane is C1CNCC2CC(C1)N2.
What is the InChIKey of 3,8-diazabicyclo[5.1.1]nonane?
The InChIKey is VYKLQLYWVIOTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-6-4-7(9-6)5-8-3-1/h6-9H,1-5H2.
What are the key properties of 3,8-diazabicyclo[5.1.1]nonane?
3,8-diazabicyclo[5.1.1]nonane has a molecular weight of 126.20 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[5.1.1]nonane is sourced from PubChem (CID 118209859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).