1,3-ditert-butylpyrrolidine

C12H25N — CID 18346668

IUPAC1,3-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-11(2,3)10-7-8-13(9-10)12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyZHGZNKAHWWUSSU-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds

About 1,3-ditert-butylpyrrolidine

1,3-ditert-butylpyrrolidine (PubChem CID 18346668) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1,3-ditert-butylpyrrolidine.

Molecular Properties

Compound Name1,3-ditert-butylpyrrolidine
PubChem CID18346668
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1,3-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-11(2,3)10-7-8-13(9-10)12(4,5)6/h10H,7-9H2,1-6H3
InChIKeyZHGZNKAHWWUSSU-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,4-Tetramethylpyrrolidine
CID 12172228
1,4-Ditert-butylpiperidine
CID 12722194
Tetramethylpyrrolidine
CID 22033887
Tetramethylpyrrolidine hydro chloride
CID 129814480
Tetraethyl pyrrolidine
CID 129816013
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 58473066
3-Tert-butyl-4-fluoro-1-methylpyrrolidine
CID 58530504
3-Tert-butyl-1-ethyl-4-fluoropyrrolidine
CID 58530553
3-Tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
CID 58530916
3-(Fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778510
2-(Fluoromethyl)-1,3-di(propan-2-yl)pyrrolidine
CID 58778775
3-(2,2-Dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 76797082

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylpyrrolidine?
The IUPAC name of 1,3-ditert-butylpyrrolidine (CID 18346668) is 1,3-ditert-butylpyrrolidine.
What is the SMILES notation for 1,3-ditert-butylpyrrolidine?
The canonical SMILES for 1,3-ditert-butylpyrrolidine is CC(C)(C)C1CCN(C(C)(C)C)C1.
What is the InChIKey of 1,3-ditert-butylpyrrolidine?
The InChIKey is ZHGZNKAHWWUSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-11(2,3)10-7-8-13(9-10)12(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 1,3-ditert-butylpyrrolidine?
1,3-ditert-butylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylpyrrolidine is sourced from PubChem (CID 18346668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).