(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene

C14H23N — CID 11264207

IUPAC(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
SMILESCC1=C[C@@H]2CC[C@H]3[C@H](C)C[C@@H](C)[C@H](C1)N23
InChIInChI=1S/C14H23N/c1-9-6-12-4-5-13-10(2)8-11(3)14(7-9)15(12)13/h6,10-14H,4-5,7-8H2,1-3H3/t10-,11-,12+,13+,14+/m1/s1
InChIKeyGZLDGJFXXOEXDX-DGTMBMJNSA-N
MW205.34 g/mol
LogP3.21
Rot. Bonds

About (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene

(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene (PubChem CID 11264207) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene.

Molecular Properties

Compound Name(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
PubChem CID11264207
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
SMILESCC1=C[C@@H]2CC[C@H]3[C@H](C)C[C@@H](C)[C@H](C1)N23
InChIInChI=1S/C14H23N/c1-9-6-12-4-5-13-10(2)8-11(3)14(7-9)15(12)13/h6,10-14H,4-5,7-8H2,1-3H3/t10-,11-,12+,13+,14+/m1/s1
InChIKeyGZLDGJFXXOEXDX-DGTMBMJNSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene?
The IUPAC name of (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene (CID 11264207) is (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene.
What is the SMILES notation for (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene?
The canonical SMILES for (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene is CC1=C[C@@H]2CC[C@H]3[C@H](C)C[C@@H](C)[C@H](C1)N23.
What is the InChIKey of (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene?
The InChIKey is GZLDGJFXXOEXDX-DGTMBMJNSA-N. The full InChI is InChI=1S/C14H23N/c1-9-6-12-4-5-13-10(2)8-11(3)14(7-9)15(12)13/h6,10-14H,4-5,7-8H2,1-3H3/t10-,11-,12+,13+,14+/m1/s1.
What are the key properties of (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene?
(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene has a molecular weight of 205.34 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene is sourced from PubChem (CID 11264207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).