1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C11H21N — CID 89367893

IUPAC1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)(C)C1CCN2CCCC12
InChIInChI=1S/C11H21N/c1-11(2,3)9-6-8-12-7-4-5-10(9)12/h9-10H,4-8H2,1-3H3
InChIKeyDWPLCOGXSSSMIV-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds

About 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 89367893) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID89367893
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCC(C)(C)C1CCN2CCCC12
InChIInChI=1S/C11H21N/c1-11(2,3)9-6-8-12-7-4-5-10(9)12/h9-10H,4-8H2,1-3H3
InChIKeyDWPLCOGXSSSMIV-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 89367893) is 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CC(C)(C)C1CCN2CCCC12.
What is the InChIKey of 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is DWPLCOGXSSSMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2,3)9-6-8-12-7-4-5-10(9)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 167.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 89367893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).