8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C24H27N — CID 51360677

IUPAC8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C24H27N/c1-24(2,3)18-9-7-15(8-10-18)20-14-21-16-5-6-17(13-16)22(21)23-19(20)11-12-25(23)4/h7-12,14,16-17H,5-6,13H2,1-4H3
InChIKeyXHVZNHAQYIIVPB-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.51
Rot. Bonds1

About 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360677) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360677
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C24H27N/c1-24(2,3)18-9-7-15(8-10-18)20-14-21-16-5-6-17(13-16)22(21)23-19(20)11-12-25(23)4/h7-12,14,16-17H,5-6,13H2,1-4H3
InChIKeyXHVZNHAQYIIVPB-UHFFFAOYSA-N
XLogP6.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360677) is 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3ccc(C(C)(C)C)cc3)cc3c(c21)C1CCC3C1.
What is the InChIKey of 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is XHVZNHAQYIIVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-24(2,3)18-9-7-15(8-10-18)20-14-21-16-5-6-17(13-16)22(21)23-19(20)11-12-25(23)4/h7-12,14,16-17H,5-6,13H2,1-4H3.
What are the key properties of 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 329.49 g/mol, XLogP of 6.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylphenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).