(1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane

C13H26N2 — CID 176728506

IUPAC(1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1[C@@H]2CN(C(C)(C)C)[C@H]1CN2
InChIInChI=1S/C13H26N2/c1-12(2,3)11-9-8-15(13(4,5)6)10(11)7-14-9/h9-11,14H,7-8H2,1-6H3/t9-,10-,11?/m0/s1
InChIKeyDKGZMCQUAOGBNJ-QRHSGQBVSA-N
MW210.36 g/mol
LogP2.10
Rot. Bonds

About (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 176728506) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID176728506
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)C1[C@@H]2CN(C(C)(C)C)[C@H]1CN2
InChIInChI=1S/C13H26N2/c1-12(2,3)11-9-8-15(13(4,5)6)10(11)7-14-9/h9-11,14H,7-8H2,1-6H3/t9-,10-,11?/m0/s1
InChIKeyDKGZMCQUAOGBNJ-QRHSGQBVSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-5-cyclohexyl-2-propan-2-ylpiperazine
CID 64931346
1-(2,5-diazabicyclo[2.2.0]hexan-2-yl)ethanone
CID 156726471
(4S)-2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane
CID 170265964
1-tert-butyl-2-methylaziridine
CID 15557486
2,3-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane
CID 176728526
1,2,3-tritert-butylpiperazine
CID 166024715
3,5-ditert-butyl-2,4,4a,6,7,7a-hexahydro-1H-pyrrolo[3,2-d]pyrimidine
CID 59996905
3,6-ditert-butyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 170939431
(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane
CID 139364543
3,4-ditert-butyl-3-azabicyclo[4.1.0]heptane
CID 126576784
2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
CID 146177033
1-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-c]pyrazole
CID 129157843

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane (CID 176728506) is (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane is CC(C)(C)C1[C@@H]2CN(C(C)(C)C)[C@H]1CN2.
What is the InChIKey of (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is DKGZMCQUAOGBNJ-QRHSGQBVSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2,3)11-9-8-15(13(4,5)6)10(11)7-14-9/h9-11,14H,7-8H2,1-6H3/t9-,10-,11?/m0/s1.
What are the key properties of (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 210.36 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2,7-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 176728506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).