11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one

C26H38N6O2 — CID 162103870

IUPAC11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
SMILESCN1CC2(CCCCC2)n2c(cc3cnc(NC4CCC(NC5CCOCC5)CC4)nc32)C1=O
InChIInChI=1S/C26H38N6O2/c1-31-17-26(11-3-2-4-12-26)32-22(24(31)33)15-18-16-27-25(30-23(18)32)29-20-7-5-19(6-8-20)28-21-9-13-34-14-10-21/h15-16,19-21,28H,2-14,17H2,1H3,(H,27,29,30)
InChIKeyLICJTDBCCUTKLF-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.67
Rot. Bonds4

About 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one

11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one (PubChem CID 162103870) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one.

Molecular Properties

Compound Name11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
PubChem CID162103870
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC Name11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
SMILESCN1CC2(CCCCC2)n2c(cc3cnc(NC4CCC(NC5CCOCC5)CC4)nc32)C1=O
InChIInChI=1S/C26H38N6O2/c1-31-17-26(11-3-2-4-12-26)32-22(24(31)33)15-18-16-27-25(30-23(18)32)29-20-7-5-19(6-8-20)28-21-9-13-34-14-10-21/h15-16,19-21,28H,2-14,17H2,1H3,(H,27,29,30)
InChIKeyLICJTDBCCUTKLF-UHFFFAOYSA-N
XLogP3.67
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The IUPAC name of 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one (CID 162103870) is 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one.
What is the SMILES notation for 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The canonical SMILES for 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one is CN1CC2(CCCCC2)n2c(cc3cnc(NC4CCC(NC5CCOCC5)CC4)nc32)C1=O.
What is the InChIKey of 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
The InChIKey is LICJTDBCCUTKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-31-17-26(11-3-2-4-12-26)32-22(24(31)33)15-18-16-27-25(30-23(18)32)29-20-7-5-19(6-8-20)28-21-9-13-34-14-10-21/h15-16,19-21,28H,2-14,17H2,1H3,(H,27,29,30).
What are the key properties of 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one?
11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one has a molecular weight of 466.63 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4-[[4-(oxan-4-ylamino)cyclohexyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one is sourced from PubChem (CID 162103870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).