(2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine

C10H21NO — CID 159169138

IUPAC(2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1C[C@H](C)CN1C
InChIInChI=1S/C10H21NO/c1-8(2)12-7-10-5-9(3)6-11(10)4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyKLLOWJGGGRTWFX-UWVGGRQHSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds3

About (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine

(2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 159169138) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID159169138
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1C[C@H](C)CN1C
InChIInChI=1S/C10H21NO/c1-8(2)12-7-10-5-9(3)6-11(10)4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyKLLOWJGGGRTWFX-UWVGGRQHSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 159169138) is (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@@H]1C[C@H](C)CN1C.
What is the InChIKey of (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is KLLOWJGGGRTWFX-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)12-7-10-5-9(3)6-11(10)4/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine?
(2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1,4-dimethyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 159169138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).