6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene

C15H24N4 — CID 136841572

IUPAC6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
SMILESC1CCC(C2CCNc3c4c(nn32)NCCC4)CC1
InChIInChI=1S/C15H24N4/c1-2-5-11(6-3-1)13-8-10-17-15-12-7-4-9-16-14(12)18-19(13)15/h11,13,17H,1-10H2,(H,16,18)
InChIKeyMOYJZVOEWWKNAT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.18
Rot. Bonds1

About 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene

6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene (PubChem CID 136841572) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene.

Molecular Properties

Compound Name6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
PubChem CID136841572
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene
SMILESC1CCC(C2CCNc3c4c(nn32)NCCC4)CC1
InChIInChI=1S/C15H24N4/c1-2-5-11(6-3-1)13-8-10-17-15-12-7-4-9-16-14(12)18-19(13)15/h11,13,17H,1-10H2,(H,16,18)
InChIKeyMOYJZVOEWWKNAT-UHFFFAOYSA-N
XLogP3.18
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The IUPAC name of 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene (CID 136841572) is 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene.
What is the SMILES notation for 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The canonical SMILES for 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene is C1CCC(C2CCNc3c4c(nn32)NCCC4)CC1.
What is the InChIKey of 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
The InChIKey is MOYJZVOEWWKNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-5-11(6-3-1)13-8-10-17-15-12-7-4-9-16-14(12)18-19(13)15/h11,13,17H,1-10H2,(H,16,18).
What are the key properties of 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene?
6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene has a molecular weight of 260.38 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene is sourced from PubChem (CID 136841572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).