1,6-ditert-butyl-1,6-diazacycloundecane

C17H36N2 — CID 90712737

IUPAC1,6-ditert-butyl-1,6-diazacycloundecane
SMILESCC(C)(C)N1CCCCCN(C(C)(C)C)CCCC1
InChIInChI=1S/C17H36N2/c1-16(2,3)18-12-8-7-9-13-19(17(4,5)6)15-11-10-14-18/h7-15H2,1-6H3
InChIKeyJAQVREBATHPCBK-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.15
Rot. Bonds

About 1,6-ditert-butyl-1,6-diazacycloundecane

1,6-ditert-butyl-1,6-diazacycloundecane (PubChem CID 90712737) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1,6-ditert-butyl-1,6-diazacycloundecane.

Molecular Properties

Compound Name1,6-ditert-butyl-1,6-diazacycloundecane
PubChem CID90712737
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1,6-ditert-butyl-1,6-diazacycloundecane
SMILESCC(C)(C)N1CCCCCN(C(C)(C)C)CCCC1
InChIInChI=1S/C17H36N2/c1-16(2,3)18-12-8-7-9-13-19(17(4,5)6)15-11-10-14-18/h7-15H2,1-6H3
InChIKeyJAQVREBATHPCBK-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-butylpyrrolidine;cyclopentane;ethane;methane;bis(2-methylpropane);1-methylpyrrolidine
CID 159350660
1-tert-butylazetidine;4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane;methane
CID 157094866
azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperidine
CID 157270913
4-tert-butylmorpholine;1-tert-butylpiperidine;1,4-dimethylpiperazine;methane
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1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
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Frequently Asked Questions

What is the IUPAC name of 1,6-ditert-butyl-1,6-diazacycloundecane?
The IUPAC name of 1,6-ditert-butyl-1,6-diazacycloundecane (CID 90712737) is 1,6-ditert-butyl-1,6-diazacycloundecane.
What is the SMILES notation for 1,6-ditert-butyl-1,6-diazacycloundecane?
The canonical SMILES for 1,6-ditert-butyl-1,6-diazacycloundecane is CC(C)(C)N1CCCCCN(C(C)(C)C)CCCC1.
What is the InChIKey of 1,6-ditert-butyl-1,6-diazacycloundecane?
The InChIKey is JAQVREBATHPCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-16(2,3)18-12-8-7-9-13-19(17(4,5)6)15-11-10-14-18/h7-15H2,1-6H3.
What are the key properties of 1,6-ditert-butyl-1,6-diazacycloundecane?
1,6-ditert-butyl-1,6-diazacycloundecane has a molecular weight of 268.49 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-ditert-butyl-1,6-diazacycloundecane is sourced from PubChem (CID 90712737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).