1,4-ditert-butyl-3,3-dimethylpyrrolidine

C14H29N — CID 170668415

IUPAC1,4-ditert-butyl-3,3-dimethylpyrrolidine
SMILESCC(C)(C)C1CN(C(C)(C)C)CC1(C)C
InChIInChI=1S/C14H29N/c1-12(2,3)11-9-15(13(4,5)6)10-14(11,7)8/h11H,9-10H2,1-8H3
InChIKeyZASPZOGNQLHRMM-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.79
Rot. Bonds

About 1,4-ditert-butyl-3,3-dimethylpyrrolidine

1,4-ditert-butyl-3,3-dimethylpyrrolidine (PubChem CID 170668415) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1,4-ditert-butyl-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1,4-ditert-butyl-3,3-dimethylpyrrolidine
PubChem CID170668415
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1,4-ditert-butyl-3,3-dimethylpyrrolidine
SMILESCC(C)(C)C1CN(C(C)(C)C)CC1(C)C
InChIInChI=1S/C14H29N/c1-12(2,3)11-9-15(13(4,5)6)10-14(11,7)8/h11H,9-10H2,1-8H3
InChIKeyZASPZOGNQLHRMM-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-tert-butyl-4,4-dimethylpyrrolidin-3-yl)methanamine
CID 155184234
(1R,5S,6R)-3,6-ditert-butyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 167383396
(3aS,6aR)-5-tert-butyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 152807256
(3aR,6aS)-5-tert-butyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 131971707
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
3-tert-butyl-N-ethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 126556169
(3aS,6aR)-5-tert-butyl-2-ethyl-3a-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167645455
5-tert-butyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 176600869
(1-tert-butyl-4,4-dimethylpiperidin-3-yl)methanamine
CID 117025757
3-tert-butyl-6-chloro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 154931376
(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol
CID 176847731
1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine
CID 177072830

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-3,3-dimethylpyrrolidine?
The IUPAC name of 1,4-ditert-butyl-3,3-dimethylpyrrolidine (CID 170668415) is 1,4-ditert-butyl-3,3-dimethylpyrrolidine.
What is the SMILES notation for 1,4-ditert-butyl-3,3-dimethylpyrrolidine?
The canonical SMILES for 1,4-ditert-butyl-3,3-dimethylpyrrolidine is CC(C)(C)C1CN(C(C)(C)C)CC1(C)C.
What is the InChIKey of 1,4-ditert-butyl-3,3-dimethylpyrrolidine?
The InChIKey is ZASPZOGNQLHRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-12(2,3)11-9-15(13(4,5)6)10-14(11,7)8/h11H,9-10H2,1-8H3.
What are the key properties of 1,4-ditert-butyl-3,3-dimethylpyrrolidine?
1,4-ditert-butyl-3,3-dimethylpyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-3,3-dimethylpyrrolidine is sourced from PubChem (CID 170668415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).