1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one

C24H43N3O — CID 58341272

IUPAC1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1C(C2CCCCC2)C2C3CCCNC3NC2N1C(C)(C)C
InChIInChI=1S/C24H43N3O/c1-23(2,3)20(28)19-17(15-11-8-7-9-12-15)18-16-13-10-14-25-21(16)26-22(18)27(19)24(4,5)6/h15-19,21-22,25-26H,7-14H2,1-6H3
InChIKeyBRCZTEZIHUMZOV-UHFFFAOYSA-N
MW389.63 g/mol
LogP4.15
Rot. Bonds2

About 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one

1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 58341272) has the molecular formula C24H43N3O and a molecular weight of 389.63 g/mol. Its IUPAC name is 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one
PubChem CID58341272
Molecular FormulaC24H43N3O
Molecular Weight389.63 g/mol
Exact Mass389.34
IUPAC Name1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1C(C2CCCCC2)C2C3CCCNC3NC2N1C(C)(C)C
InChIInChI=1S/C24H43N3O/c1-23(2,3)20(28)19-17(15-11-8-7-9-12-15)18-16-13-10-14-25-21(16)26-22(18)27(19)24(4,5)6/h15-19,21-22,25-26H,7-14H2,1-6H3
InChIKeyBRCZTEZIHUMZOV-UHFFFAOYSA-N
XLogP4.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one (CID 58341272) is 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1C(C2CCCCC2)C2C3CCCNC3NC2N1C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is BRCZTEZIHUMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O/c1-23(2,3)20(28)19-17(15-11-8-7-9-12-15)18-16-13-10-14-25-21(16)26-22(18)27(19)24(4,5)6/h15-19,21-22,25-26H,7-14H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one?
1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one has a molecular weight of 389.63 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58341272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).