2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene

C11H17N — CID 144709552

IUPAC2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene
SMILESC1=C2CC(CC1)CC1CCCN21
InChIInChI=1S/C11H17N/c1-3-9-7-10(4-1)12-6-2-5-11(12)8-9/h4,9,11H,1-3,5-8H2
InChIKeyGUTXWLDCOMXRMB-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.54
Rot. Bonds

About 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene

2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene (PubChem CID 144709552) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene.

Molecular Properties

Compound Name2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene
PubChem CID144709552
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene
SMILESC1=C2CC(CC1)CC1CCCN21
InChIInChI=1S/C11H17N/c1-3-9-7-10(4-1)12-6-2-5-11(12)8-9/h4,9,11H,1-3,5-8H2
InChIKeyGUTXWLDCOMXRMB-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,8R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 134827995
(5R,8R,8aS)-5-[(Z)-hept-4-enyl]-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10998976
(2aR,3S,5S,5aR,8aR)-3,5,7-Trimethyl-2,2a,3,4,5,5a,6,8a-octahydro-1H-pyrrolo[2,1,5-de]quinolizine
CID 72775341
Octahydro-n-ethylcarbazole
CID 69282469
(1R,4R,8R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 11183344
(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 11264207
11-Azatricyclo[5.3.1.04,11]undec-3-ene
CID 12301173
anti-11-Aza-11-methyltricyclo[4.3.1.12,5]undec-7-ene
CID 49852256
6,8-Diethyl-5-propenylindolizidine
CID 129866353
(1R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 134847975
Aieuxoiwpwfucb-uhfffaoysa-
CID 12398326
(5R,8R,8aS)-8-Methyl-5-((Z)-non-4-en-1-yl)octahydroindolizine
CID 91716153

Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene?
The IUPAC name of 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene (CID 144709552) is 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene.
What is the SMILES notation for 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene?
The canonical SMILES for 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene is C1=C2CC(CC1)CC1CCCN21.
What is the InChIKey of 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene?
The InChIKey is GUTXWLDCOMXRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-9-7-10(4-1)12-6-2-5-11(12)8-9/h4,9,11H,1-3,5-8H2.
What are the key properties of 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene?
2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene has a molecular weight of 163.26 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[6.3.1.02,6]dodec-1(11)-ene is sourced from PubChem (CID 144709552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).