4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene

C12H18N2 — CID 20606384

IUPAC4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene
SMILESC1=CC2C3CNCC3C1C1CNCC21
InChIInChI=1S/C12H18N2/c1-2-8-11-5-13-3-9(11)7(1)10-4-14-6-12(8)10/h1-2,7-14H,3-6H2
InChIKeyZGVDOOHKMMAVDD-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.47
Rot. Bonds

About 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene

4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene (PubChem CID 20606384) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene.

Molecular Properties

Compound Name4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene
PubChem CID20606384
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene
SMILESC1=CC2C3CNCC3C1C1CNCC21
InChIInChI=1S/C12H18N2/c1-2-8-11-5-13-3-9(11)7(1)10-4-14-6-12(8)10/h1-2,7-14H,3-6H2
InChIKeyZGVDOOHKMMAVDD-UHFFFAOYSA-N
XLogP0.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-4,7-diol
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CID 130360842
3,8-diazabicyclo[3.2.1]oct-6-ene
CID 68720106
4,10-diazatricyclo[5.2.1.02,6]decane
CID 118273688
(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
CID 55254914
(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
CID 99123348
(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene
CID 10243706
(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 96581815
(3aS,7aR)-N,7-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-amine
CID 54302636
(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
CID 91800946
(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 39872416
4-piperidin-4-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene
CID 90680743

Frequently Asked Questions

What is the IUPAC name of 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene?
The IUPAC name of 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene (CID 20606384) is 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene.
What is the SMILES notation for 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene?
The canonical SMILES for 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene is C1=CC2C3CNCC3C1C1CNCC21.
What is the InChIKey of 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene?
The InChIKey is ZGVDOOHKMMAVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-8-11-5-13-3-9(11)7(1)10-4-14-6-12(8)10/h1-2,7-14H,3-6H2.
What are the key properties of 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene?
4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene has a molecular weight of 190.29 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene is sourced from PubChem (CID 20606384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).