(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine

C11H23N — CID 58149350

IUPAC(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine
SMILESC[C@H]1CCN(C)[C@@H]1CC(C)(C)C
InChIInChI=1S/C11H23N/c1-9-6-7-12(5)10(9)8-11(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeySBPNANBGJVGNIM-VHSXEESVSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds1

About (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine

(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine (PubChem CID 58149350) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine
PubChem CID58149350
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine
SMILESC[C@H]1CCN(C)[C@@H]1CC(C)(C)C
InChIInChI=1S/C11H23N/c1-9-6-7-12(5)10(9)8-11(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeySBPNANBGJVGNIM-VHSXEESVSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine?
The IUPAC name of (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine (CID 58149350) is (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine.
What is the SMILES notation for (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine?
The canonical SMILES for (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine is C[C@H]1CCN(C)[C@@H]1CC(C)(C)C.
What is the InChIKey of (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine?
The InChIKey is SBPNANBGJVGNIM-VHSXEESVSA-N. The full InChI is InChI=1S/C11H23N/c1-9-6-7-12(5)10(9)8-11(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine?
(2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(2,2-dimethylpropyl)-1,3-dimethylpyrrolidine is sourced from PubChem (CID 58149350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).