10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene

C15H26N2 — CID 143720884

IUPAC10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene
SMILESCCCCCC1CC=C2C1CCN1NCCC21
InChIInChI=1S/C15H26N2/c1-2-3-4-5-12-6-7-14-13(12)9-11-17-15(14)8-10-16-17/h7,12-13,15-16H,2-6,8-11H2,1H3
InChIKeyOSNZCAXNJSLRLL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.11
Rot. Bonds4

About 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene

10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene (PubChem CID 143720884) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene.

Molecular Properties

Compound Name10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene
PubChem CID143720884
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene
SMILESCCCCCC1CC=C2C1CCN1NCCC21
InChIInChI=1S/C15H26N2/c1-2-3-4-5-12-6-7-14-13(12)9-11-17-15(14)8-10-16-17/h7,12-13,15-16H,2-6,8-11H2,1H3
InChIKeyOSNZCAXNJSLRLL-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Cyclopenten-1-yl)-1,3,5-trimethylpyrazolidine
CID 163948972
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyridine
CID 176569229
3-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569581
3-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 176569703
[3-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-2-enyl]hydrazine
CID 105265895
[Cyclohexen-1-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 106649495

Frequently Asked Questions

What is the IUPAC name of 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene?
The IUPAC name of 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene (CID 143720884) is 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene.
What is the SMILES notation for 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene?
The canonical SMILES for 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene is CCCCCC1CC=C2C1CCN1NCCC21.
What is the InChIKey of 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene?
The InChIKey is OSNZCAXNJSLRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-3-4-5-12-6-7-14-13(12)9-11-17-15(14)8-10-16-17/h7,12-13,15-16H,2-6,8-11H2,1H3.
What are the key properties of 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene?
10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene has a molecular weight of 234.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pentyl-5,6-diazatricyclo[7.3.0.02,6]dodec-1(12)-ene is sourced from PubChem (CID 143720884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).