2,5-diazatricyclo[6.2.1.02,7]undecane

C9H16N2 — CID 74874734

IUPAC2,5-diazatricyclo[6.2.1.02,7]undecane
SMILESC1CN2C3CCC(C3)C2CN1
InChIInChI=1S/C9H16N2/c1-2-8-5-7(1)9-6-10-3-4-11(8)9/h7-10H,1-6H2
InChIKeyFXDOBDLENLQBBY-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.44
Rot. Bonds

About 2,5-diazatricyclo[6.2.1.02,7]undecane

2,5-diazatricyclo[6.2.1.02,7]undecane (PubChem CID 74874734) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,5-diazatricyclo[6.2.1.02,7]undecane.

Molecular Properties

Compound Name2,5-diazatricyclo[6.2.1.02,7]undecane
PubChem CID74874734
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,5-diazatricyclo[6.2.1.02,7]undecane
SMILESC1CN2C3CCC(C3)C2CN1
InChIInChI=1S/C9H16N2/c1-2-8-5-7(1)9-6-10-3-4-11(8)9/h7-10H,1-6H2
InChIKeyFXDOBDLENLQBBY-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131002494
(2S)-2-methyl-1-(3-methylcyclopentyl)piperazine;hydrochloride
CID 131203778
1-azatricyclo[4.2.0.02,4]octane
CID 131843917
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131031737
5-ethyl-2,5-diazatricyclo[6.2.1.02,7]undecane
CID 88971570
2-cyclopropylpiperazine-1-carbaldehyde
CID 87187769
(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
CID 130992359
3-cyclopropyl-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 164772604
1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine
CID 64931531
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
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CID 131114768

Frequently Asked Questions

What is the IUPAC name of 2,5-diazatricyclo[6.2.1.02,7]undecane?
The IUPAC name of 2,5-diazatricyclo[6.2.1.02,7]undecane (CID 74874734) is 2,5-diazatricyclo[6.2.1.02,7]undecane.
What is the SMILES notation for 2,5-diazatricyclo[6.2.1.02,7]undecane?
The canonical SMILES for 2,5-diazatricyclo[6.2.1.02,7]undecane is C1CN2C3CCC(C3)C2CN1.
What is the InChIKey of 2,5-diazatricyclo[6.2.1.02,7]undecane?
The InChIKey is FXDOBDLENLQBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-8-5-7(1)9-6-10-3-4-11(8)9/h7-10H,1-6H2.
What are the key properties of 2,5-diazatricyclo[6.2.1.02,7]undecane?
2,5-diazatricyclo[6.2.1.02,7]undecane has a molecular weight of 152.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazatricyclo[6.2.1.02,7]undecane is sourced from PubChem (CID 74874734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).