(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C11H21N — CID 71444298

IUPAC(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)(C)[C@@H]1CC[C@H]2CCCN21
InChIInChI=1S/C11H21N/c1-11(2,3)10-7-6-9-5-4-8-12(9)10/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyRSXZKHRXLITVON-ZJUUUORDSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds

About (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 71444298) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID71444298
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)(C)[C@@H]1CC[C@H]2CCCN21
InChIInChI=1S/C11H21N/c1-11(2,3)10-7-6-9-5-4-8-12(9)10/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyRSXZKHRXLITVON-ZJUUUORDSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 71444298) is (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CC(C)(C)[C@@H]1CC[C@H]2CCCN21.
What is the InChIKey of (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is RSXZKHRXLITVON-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)10-7-6-9-5-4-8-12(9)10/h9-10H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
(3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine 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 (3S,8R)-3-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 71444298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).