8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine

C11H21N — CID 164798952

IUPAC8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)(C)C12CCCN1CCC2
InChIInChI=1S/C11H21N/c1-10(2,3)11-6-4-8-12(11)9-5-7-11/h4-9H2,1-3H3
InChIKeyQKZXKMSTGUGQLE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds

About 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine

8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164798952) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164798952
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)(C)C12CCCN1CCC2
InChIInChI=1S/C11H21N/c1-10(2,3)11-6-4-8-12(11)9-5-7-11/h4-9H2,1-3H3
InChIKeyQKZXKMSTGUGQLE-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-(1-tert-butylcyclopropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176778432
2-methyl-8-(2-methylpentan-2-yl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 174266527
1-[1-(2-methylbutan-2-yl)cycloheptyl]piperazine
CID 134473496
6-tert-butyl-3,3-difluoro-1-azatricyclo[4.3.0.02,4]nonane
CID 176800835
8-(3,3-dimethylbutyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 176778512
6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane
CID 176800715
4-ethyl-1-[1-(trifluoromethyl)cyclopropyl]-1,5-diazocane
CID 114159476
1-[1-(2,2-dimethylpropyl)cyclopropyl]pyrrolidine
CID 155794244
8-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 170194734
1-tert-butyl-2,2-dimethylpyrrolidine
CID 58450080
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533
(2R)-2,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170704092

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 164798952) is 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)(C)C12CCCN1CCC2.
What is the InChIKey of 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is QKZXKMSTGUGQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)11-6-4-8-12(11)9-5-7-11/h4-9H2,1-3H3.
What are the key properties of 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine?
8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 167.30 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164798952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).