(1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene

C11H19N3 — CID 102001064

IUPAC(1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
SMILESC[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](C)N=C(N1)N32
InChIInChI=1S/C11H19N3/c1-7-5-9-3-4-10-6-8(2)13-11(12-7)14(9)10/h7-10H,3-6H2,1-2H3,(H,12,13)/t7-,8+,9+,10-
InChIKeyNMQGYKLVARCOKP-FIRGSJFUSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds

About (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene

(1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene (PubChem CID 102001064) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene.

Molecular Properties

Compound Name(1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
PubChem CID102001064
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
SMILESC[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](C)N=C(N1)N32
InChIInChI=1S/C11H19N3/c1-7-5-9-3-4-10-6-8(2)13-11(12-7)14(9)10/h7-10H,3-6H2,1-2H3,(H,12,13)/t7-,8+,9+,10-
InChIKeyNMQGYKLVARCOKP-FIRGSJFUSA-N
XLogP1.35
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The IUPAC name of (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene (CID 102001064) is (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene.
What is the SMILES notation for (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The canonical SMILES for (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene is C[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](C)N=C(N1)N32.
What is the InChIKey of (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The InChIKey is NMQGYKLVARCOKP-FIRGSJFUSA-N. The full InChI is InChI=1S/C11H19N3/c1-7-5-9-3-4-10-6-8(2)13-11(12-7)14(9)10/h7-10H,3-6H2,1-2H3,(H,12,13)/t7-,8+,9+,10-.
What are the key properties of (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
(1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene has a molecular weight of 193.29 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6S,10R)-6,10-dimethyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene is sourced from PubChem (CID 102001064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).