5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene

C19H26N2 — CID 58371719

IUPAC5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
SMILESCC(C)c1ccc2c(c1)Cc1[nH]c(C(C)(C)C)nc1CC2
InChIInChI=1S/C19H26N2/c1-12(2)14-7-6-13-8-9-16-17(11-15(13)10-14)21-18(20-16)19(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,21)
InChIKeyUJTJOCWPTNPTPX-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.52
Rot. Bonds1

About 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene

5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene (PubChem CID 58371719) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene.

Molecular Properties

Compound Name5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
PubChem CID58371719
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene
SMILESCC(C)c1ccc2c(c1)Cc1[nH]c(C(C)(C)C)nc1CC2
InChIInChI=1S/C19H26N2/c1-12(2)14-7-6-13-8-9-16-17(11-15(13)10-14)21-18(20-16)19(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,21)
InChIKeyUJTJOCWPTNPTPX-UHFFFAOYSA-N
XLogP4.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene?
The IUPAC name of 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene (CID 58371719) is 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene.
What is the SMILES notation for 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene?
The canonical SMILES for 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene is CC(C)c1ccc2c(c1)Cc1[nH]c(C(C)(C)C)nc1CC2.
What is the InChIKey of 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene?
The InChIKey is UJTJOCWPTNPTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-12(2)14-7-6-13-8-9-16-17(11-15(13)10-14)21-18(20-16)19(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,21).
What are the key properties of 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene?
5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene has a molecular weight of 282.43 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-13-propan-2-yl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaene is sourced from PubChem (CID 58371719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).