2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane

C13H26N2 — CID 146177033

IUPAC2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1C2CC(CN2)N1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-12(2,3)11-10-7-9(8-14-10)15(11)13(4,5)6/h9-11,14H,7-8H2,1-6H3
InChIKeyFHGRIPLBNLJKTJ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds

About 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane

2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 146177033) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID146177033
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1C2CC(CN2)N1C(C)(C)C
InChIInChI=1S/C13H26N2/c1-12(2,3)11-10-7-9(8-14-10)15(11)13(4,5)6/h9-11,14H,7-8H2,1-6H3
InChIKeyFHGRIPLBNLJKTJ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-ditert-butyl-2-azabicyclo[2.2.2]octane
CID 71075636
1-(5,6-ditert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 146177085
(1S,4S)-2,3-dimethyl-2,5-diazabicyclo[2.2.1]heptane
CID 177181824
(4S)-2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane
CID 170265964
2,3-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane
CID 176728526
3,6-ditert-butyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 170939431
3,6-ditert-butyl-2,4-dimethyl-3-azabicyclo[3.1.1]heptane
CID 138627504
(1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
CID 176728506
5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane
CID 176747824
(1S,5R)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615808
(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine
CID 164846076
(1S,5R)-6-tert-butyl-3-oxa-6-azabicyclo[3.1.1]heptane
CID 129150641

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane (CID 146177033) is 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane is CC(C)(C)C1C2CC(CN2)N1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is FHGRIPLBNLJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2,3)11-10-7-9(8-14-10)15(11)13(4,5)6/h9-11,14H,7-8H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane?
2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 210.36 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 146177033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).