1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine

C12H24N2 — CID 166650515

IUPAC1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
SMILESCC1CCCN1C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2/c1-10-6-5-7-14(10)11-8-13(9-11)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyOJJPZLCWDDVKHJ-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.95
Rot. Bonds1

About 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine

1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine (PubChem CID 166650515) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
PubChem CID166650515
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
SMILESCC1CCCN1C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H24N2/c1-10-6-5-7-14(10)11-8-13(9-11)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyOJJPZLCWDDVKHJ-UHFFFAOYSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine (CID 166650515) is 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine is CC1CCCN1C1CN(C(C)(C)C)C1.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine?
The InChIKey is OJJPZLCWDDVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-6-5-7-14(10)11-8-13(9-11)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine?
1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine has a molecular weight of 196.34 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine is sourced from PubChem (CID 166650515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).