1-tert-butyl-2,3,3-trideuteriopyrrolidine

C8H17N — CID 140872173

IUPAC1-tert-butyl-2,3,3-trideuteriopyrrolidine
SMILES[2H]C1N(C(C)(C)C)CCC1([2H])[2H]
InChIInChI=1S/C8H17N/c1-8(2,3)9-6-4-5-7-9/h4-7H2,1-3H3/i4D2,6D
InChIKeyWNMQSIGDRWCJMO-HRMNUFNHSA-N
MW130.25 g/mol
LogP1.88
Rot. Bonds

About 1-tert-butyl-2,3,3-trideuteriopyrrolidine

1-tert-butyl-2,3,3-trideuteriopyrrolidine (PubChem CID 140872173) has the molecular formula C8H17N and a molecular weight of 130.25 g/mol. Its IUPAC name is 1-tert-butyl-2,3,3-trideuteriopyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2,3,3-trideuteriopyrrolidine
PubChem CID140872173
Molecular FormulaC8H17N
Molecular Weight130.25 g/mol
Exact Mass130.15
IUPAC Name1-tert-butyl-2,3,3-trideuteriopyrrolidine
SMILES[2H]C1N(C(C)(C)C)CCC1([2H])[2H]
InChIInChI=1S/C8H17N/c1-8(2,3)9-6-4-5-7-9/h4-7H2,1-3H3/i4D2,6D
InChIKeyWNMQSIGDRWCJMO-HRMNUFNHSA-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 ≤ 500130.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2,2,3,3-tetradeuteriopyrrolidine
CID 140872224
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-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-2,2,3,5-tetradeuteriopyrrolidine
CID 140872162
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
4-tert-butyl-1,4-diazepan-1-amine
CID 58076615
1-tert-butylazocan-5-ol
CID 137410769
azetidine;1-tert-butylpyrrolidine;2-methylpropane
CID 177188301
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3,3-trideuteriopyrrolidine?
The IUPAC name of 1-tert-butyl-2,3,3-trideuteriopyrrolidine (CID 140872173) is 1-tert-butyl-2,3,3-trideuteriopyrrolidine.
What is the SMILES notation for 1-tert-butyl-2,3,3-trideuteriopyrrolidine?
The canonical SMILES for 1-tert-butyl-2,3,3-trideuteriopyrrolidine is [2H]C1N(C(C)(C)C)CCC1([2H])[2H].
What is the InChIKey of 1-tert-butyl-2,3,3-trideuteriopyrrolidine?
The InChIKey is WNMQSIGDRWCJMO-HRMNUFNHSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2,3)9-6-4-5-7-9/h4-7H2,1-3H3/i4D2,6D.
What are the key properties of 1-tert-butyl-2,3,3-trideuteriopyrrolidine?
1-tert-butyl-2,3,3-trideuteriopyrrolidine has a molecular weight of 130.25 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-2,3,3-trideuteriopyrrolidine is sourced from PubChem (CID 140872173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).