12-azatricyclo[11.10.2.12,11]hexacosane

C25H47N — CID 139505149

IUPAC12-azatricyclo[11.10.2.12,11]hexacosane
SMILESC1CCCCCC2CCC(CCCC1)NC1CCCCCCCCC2C1
InChIInChI=1S/C25H47N/c1-2-4-9-13-17-24-20-19-22(15-11-7-3-1)23-16-12-8-5-6-10-14-18-25(21-23)26-24/h22-26H,1-21H2
InChIKeyIMDUTQGZNNOTCF-UHFFFAOYSA-N
MW361.66 g/mol
LogP7.78
Rot. Bonds

About 12-azatricyclo[11.10.2.12,11]hexacosane

12-azatricyclo[11.10.2.12,11]hexacosane (PubChem CID 139505149) has the molecular formula C25H47N and a molecular weight of 361.66 g/mol. Its IUPAC name is 12-azatricyclo[11.10.2.12,11]hexacosane.

Molecular Properties

Compound Name12-azatricyclo[11.10.2.12,11]hexacosane
PubChem CID139505149
Molecular FormulaC25H47N
Molecular Weight361.66 g/mol
Exact Mass361.37
IUPAC Name12-azatricyclo[11.10.2.12,11]hexacosane
SMILESC1CCCCCC2CCC(CCCC1)NC1CCCCCCCCC2C1
InChIInChI=1S/C25H47N/c1-2-4-9-13-17-24-20-19-22(15-11-7-3-1)23-16-12-8-5-6-10-14-18-25(21-23)26-24/h22-26H,1-21H2
InChIKeyIMDUTQGZNNOTCF-UHFFFAOYSA-N
XLogP7.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.66
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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8-azabicyclo[3.2.1]octane;hydron
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bicyclo[21.1.0]tetracosane
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hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
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2,2-dimethyl-2λ4-thia-11-azatricyclo[10.7.2.13,10]docosane
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Frequently Asked Questions

What is the IUPAC name of 12-azatricyclo[11.10.2.12,11]hexacosane?
The IUPAC name of 12-azatricyclo[11.10.2.12,11]hexacosane (CID 139505149) is 12-azatricyclo[11.10.2.12,11]hexacosane.
What is the SMILES notation for 12-azatricyclo[11.10.2.12,11]hexacosane?
The canonical SMILES for 12-azatricyclo[11.10.2.12,11]hexacosane is C1CCCCCC2CCC(CCCC1)NC1CCCCCCCCC2C1.
What is the InChIKey of 12-azatricyclo[11.10.2.12,11]hexacosane?
The InChIKey is IMDUTQGZNNOTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N/c1-2-4-9-13-17-24-20-19-22(15-11-7-3-1)23-16-12-8-5-6-10-14-18-25(21-23)26-24/h22-26H,1-21H2.
What are the key properties of 12-azatricyclo[11.10.2.12,11]hexacosane?
12-azatricyclo[11.10.2.12,11]hexacosane has a molecular weight of 361.66 g/mol, XLogP of 7.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azatricyclo[11.10.2.12,11]hexacosane is sourced from PubChem (CID 139505149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).