1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine

C8H17N — CID 140872162

IUPAC1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine
SMILES[2H]C1CC([2H])C([2H])([2H])N1C(C)(C)C
InChIInChI=1S/C8H17N/c1-8(2,3)9-6-4-5-7-9/h4-7H2,1-3H3/i4D,6D2,7D
InChIKeyWNMQSIGDRWCJMO-NJFZOGLQSA-N
MW131.26 g/mol
LogP1.88
Rot. Bonds

About 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine

1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine (PubChem CID 140872162) has the molecular formula C8H17N and a molecular weight of 131.26 g/mol. Its IUPAC name is 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine
PubChem CID140872162
Molecular FormulaC8H17N
Molecular Weight131.26 g/mol
Exact Mass131.16
IUPAC Name1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine
SMILES[2H]C1CC([2H])C([2H])([2H])N1C(C)(C)C
InChIInChI=1S/C8H17N/c1-8(2,3)9-6-4-5-7-9/h4-7H2,1-3H3/i4D,6D2,7D
InChIKeyWNMQSIGDRWCJMO-NJFZOGLQSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2,3,4,5-tetradeuteriopyrrolidine
CID 140872195
1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 172546515
1-tert-butyl-2,2,3,3-tetradeuteriopyrrolidine
CID 140872224
1-tert-butyl-2,3,3-trideuteriopyrrolidine
CID 140872173
1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine
CID 153470715
1-tert-butyl-2,3,5,6-tetradeuterio-4-propan-2-ylpiperazine
CID 176728436
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1,4-ditert-butyl-2,2,3-trideuteriopiperidine
CID 176728380
1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine
CID 177304576
1,4-ditert-butyl-2,2,3,3,5,5,6-heptadeuterio-6-methylpiperazine
CID 90134318

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine?
The IUPAC name of 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine (CID 140872162) is 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine.
What is the SMILES notation for 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine?
The canonical SMILES for 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine is [2H]C1CC([2H])C([2H])([2H])N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine?
The InChIKey is WNMQSIGDRWCJMO-NJFZOGLQSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2,3)9-6-4-5-7-9/h4-7H2,1-3H3/i4D,6D2,7D.
What are the key properties of 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine?
1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine has a molecular weight of 131.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2,3,5-tetradeuteriopyrrolidine is sourced from PubChem (CID 140872162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).