1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole

C14H28N2 — CID 164706292

IUPAC1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
SMILESCC(C)(C)N1CCC2C1CCN2C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)15-9-7-12-11(15)8-10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyHWEFKYDLKAZTDG-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.73
Rot. Bonds

About 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole

1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole (PubChem CID 164706292) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
PubChem CID164706292
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
SMILESCC(C)(C)N1CCC2C1CCN2C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)15-9-7-12-11(15)8-10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyHWEFKYDLKAZTDG-UHFFFAOYSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 90337619
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 164706311
1-tert-butyl-2,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrole 5,5-dioxide
CID 118901664
(3aS,6aR)-N,1-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-amine
CID 146798043
2-tert-butyl-2-azabicyclo[3.2.2]nonane
CID 58465122
3,5-ditert-butyl-2,4,4a,6,7,7a-hexahydro-1H-pyrrolo[3,2-d]pyrimidine
CID 59996905
(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422
1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine
CID 166966124
1-tert-butyl-4-(4-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 66800230
acetic acid;1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 126534781
1-tert-butyl-2-(methoxymethyl)azetidine
CID 14509066

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole?
The IUPAC name of 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole (CID 164706292) is 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole?
The canonical SMILES for 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole is CC(C)(C)N1CCC2C1CCN2C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole?
The InChIKey is HWEFKYDLKAZTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)15-9-7-12-11(15)8-10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole?
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole has a molecular weight of 224.39 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 164706292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).