1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine

C14H28N2 — CID 166966124

IUPAC1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine
SMILESCC(C)(C)N1CCC1C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-13(2,3)16-11-8-12(16)14(4,5)15-9-6-7-10-15/h12H,6-11H2,1-5H3
InChIKeyFUSVOIOKIDZYHP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.73
Rot. Bonds2

About 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine

1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine (PubChem CID 166966124) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine
PubChem CID166966124
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine
SMILESCC(C)(C)N1CCC1C(C)(C)N1CCCC1
InChIInChI=1S/C14H28N2/c1-13(2,3)16-11-8-12(16)14(4,5)15-9-6-7-10-15/h12H,6-11H2,1-5H3
InChIKeyFUSVOIOKIDZYHP-UHFFFAOYSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2-(trifluoromethyl)piperidine
CID 58083437
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
bis(1,2-ditert-butylpiperidine);1,2-ditert-butylpyrrolidine;ethane;methane;sulfane
CID 159802433
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
(5S)-4,5-ditert-butyl-1-methyl-1,4-diazepane
CID 171587505
1-tert-butylazocan-5-ol
CID 137410769
(1-tert-butylpiperidin-2-yl)methanamine
CID 67209205
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpyrrolidine;ethane
CID 163972140
1-(2-cyclobutylpropan-2-yl)piperidin-4-ol
CID 156719700

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine?
The IUPAC name of 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine (CID 166966124) is 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine?
The canonical SMILES for 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine is CC(C)(C)N1CCC1C(C)(C)N1CCCC1.
What is the InChIKey of 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine?
The InChIKey is FUSVOIOKIDZYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)16-11-8-12(16)14(4,5)15-9-6-7-10-15/h12H,6-11H2,1-5H3.
What are the key properties of 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine?
1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine has a molecular weight of 224.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-tert-butylazetidin-2-yl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 166966124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).