(1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene

C15H25N3 — CID 71653671

IUPAC(1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
SMILESC[C@H]1C[C@H]2CC[C@H]3C[C@@H](CCC4CC4)N=C(N1)N23
InChIInChI=1S/C15H25N3/c1-10-8-13-6-7-14-9-12(5-4-11-2-3-11)17-15(16-10)18(13)14/h10-14H,2-9H2,1H3,(H,16,17)/t10-,12+,13+,14-/m0/s1
InChIKeyYUVXSNGKSHFHKX-ASEORRQLSA-N
MW247.39 g/mol
LogP2.52
Rot. Bonds3

About (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene

(1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene (PubChem CID 71653671) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene.

Molecular Properties

Compound Name(1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
PubChem CID71653671
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
SMILESC[C@H]1C[C@H]2CC[C@H]3C[C@@H](CCC4CC4)N=C(N1)N23
InChIInChI=1S/C15H25N3/c1-10-8-13-6-7-14-9-12(5-4-11-2-3-11)17-15(16-10)18(13)14/h10-14H,2-9H2,1H3,(H,16,17)/t10-,12+,13+,14-/m0/s1
InChIKeyYUVXSNGKSHFHKX-ASEORRQLSA-N
XLogP2.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The IUPAC name of (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene (CID 71653671) is (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene.
What is the SMILES notation for (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The canonical SMILES for (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-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](CCC4CC4)N=C(N1)N23.
What is the InChIKey of (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The InChIKey is YUVXSNGKSHFHKX-ASEORRQLSA-N. The full InChI is InChI=1S/C15H25N3/c1-10-8-13-6-7-14-9-12(5-4-11-2-3-11)17-15(16-10)18(13)14/h10-14H,2-9H2,1H3,(H,16,17)/t10-,12+,13+,14-/m0/s1.
What are the key properties of (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
(1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene has a molecular weight of 247.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R,10S)-6-(2-cyclopropylethyl)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene is sourced from PubChem (CID 71653671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).