4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

C16H22N2 — CID 118364424

IUPAC4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESc1cc2c3c(c1)C(C1CCC1)CCN3CCNC2
InChIInChI=1S/C16H22N2/c1-3-12(4-1)14-7-9-18-10-8-17-11-13-5-2-6-15(14)16(13)18/h2,5-6,12,14,17H,1,3-4,7-11H2
InChIKeyUHQQUYYDGBXNQR-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.88
Rot. Bonds1

About 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene

4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (PubChem CID 118364424) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.

Molecular Properties

Compound Name4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
PubChem CID118364424
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
SMILESc1cc2c3c(c1)C(C1CCC1)CCN3CCNC2
InChIInChI=1S/C16H22N2/c1-3-12(4-1)14-7-9-18-10-8-17-11-13-5-2-6-15(14)16(13)18/h2,5-6,12,14,17H,1,3-4,7-11H2
InChIKeyUHQQUYYDGBXNQR-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The IUPAC name of 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene (CID 118364424) is 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene.
What is the SMILES notation for 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The canonical SMILES for 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is c1cc2c3c(c1)C(C1CCC1)CCN3CCNC2.
What is the InChIKey of 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
The InChIKey is UHQQUYYDGBXNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-12(4-1)14-7-9-18-10-8-17-11-13-5-2-6-15(14)16(13)18/h2,5-6,12,14,17H,1,3-4,7-11H2.
What are the key properties of 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene?
4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene has a molecular weight of 242.37 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene is sourced from PubChem (CID 118364424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).