3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine

C10H20N2 — CID 130578823

IUPAC3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine
SMILESCC1CNCC1N1CC(C)(C)C1
InChIInChI=1S/C10H20N2/c1-8-4-11-5-9(8)12-6-10(2,3)7-12/h8-9,11H,4-7H2,1-3H3
InChIKeyGDMAPJWRASSLCQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.94
Rot. Bonds1

About 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine

3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine (PubChem CID 130578823) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine.

Molecular Properties

Compound Name3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine
PubChem CID130578823
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine
SMILESCC1CNCC1N1CC(C)(C)C1
InChIInChI=1S/C10H20N2/c1-8-4-11-5-9(8)12-6-10(2,3)7-12/h8-9,11H,4-7H2,1-3H3
InChIKeyGDMAPJWRASSLCQ-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine?
The IUPAC name of 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine (CID 130578823) is 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine.
What is the SMILES notation for 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine?
The canonical SMILES for 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine is CC1CNCC1N1CC(C)(C)C1.
What is the InChIKey of 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine?
The InChIKey is GDMAPJWRASSLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-4-11-5-9(8)12-6-10(2,3)7-12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine?
3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine has a molecular weight of 168.28 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylazetidin-1-yl)-4-methylpyrrolidine is sourced from PubChem (CID 130578823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).