1,3-diazabicyclo[5.1.1]nonane

C7H14N2 — CID 140866985

IUPAC1,3-diazabicyclo[5.1.1]nonane
SMILESC1CNCN2CC(C1)C2
InChIInChI=1S/C7H14N2/c1-2-7-4-9(5-7)6-8-3-1/h7-8H,1-6H2
InChIKeyOVZHQEWKNCKBJN-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.26
Rot. Bonds

About 1,3-diazabicyclo[5.1.1]nonane

1,3-diazabicyclo[5.1.1]nonane (PubChem CID 140866985) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,3-diazabicyclo[5.1.1]nonane.

Molecular Properties

Compound Name1,3-diazabicyclo[5.1.1]nonane
PubChem CID140866985
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,3-diazabicyclo[5.1.1]nonane
SMILESC1CNCN2CC(C1)C2
InChIInChI=1S/C7H14N2/c1-2-7-4-9(5-7)6-8-3-1/h7-8H,1-6H2
InChIKeyOVZHQEWKNCKBJN-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131204117
3-azabicyclo[6.6.6]icosane
CID 91578749
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3-methanidylpiperidine;yttrium
CID 59057892
3-(1-methylpyrrolidin-3-yl)piperidine
CID 82413007
2-tert-butyl-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-c]azepine
CID 126571223
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
CID 103533918
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
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(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
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azetidine;hydroiodide
CID 160926748

Frequently Asked Questions

What is the IUPAC name of 1,3-diazabicyclo[5.1.1]nonane?
The IUPAC name of 1,3-diazabicyclo[5.1.1]nonane (CID 140866985) is 1,3-diazabicyclo[5.1.1]nonane.
What is the SMILES notation for 1,3-diazabicyclo[5.1.1]nonane?
The canonical SMILES for 1,3-diazabicyclo[5.1.1]nonane is C1CNCN2CC(C1)C2.
What is the InChIKey of 1,3-diazabicyclo[5.1.1]nonane?
The InChIKey is OVZHQEWKNCKBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-7-4-9(5-7)6-8-3-1/h7-8H,1-6H2.
What are the key properties of 1,3-diazabicyclo[5.1.1]nonane?
1,3-diazabicyclo[5.1.1]nonane has a molecular weight of 126.20 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazabicyclo[5.1.1]nonane is sourced from PubChem (CID 140866985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).