(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine

C11H23NO — CID 102819966

IUPAC(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
SMILESCC(C)CC(C)OC[C@@H]1CCCN1
InChIInChI=1S/C11H23NO/c1-9(2)7-10(3)13-8-11-5-4-6-12-11/h9-12H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeyGKWIDIYUDPLNOX-DTIOYNMSSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine

(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine (PubChem CID 102819966) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
PubChem CID102819966
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
SMILESCC(C)CC(C)OC[C@@H]1CCCN1
InChIInChI=1S/C11H23NO/c1-9(2)7-10(3)13-8-11-5-4-6-12-11/h9-12H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeyGKWIDIYUDPLNOX-DTIOYNMSSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine
CID 62480662
(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
CID 103488467
2-(pentan-2-yloxymethyl)piperidine
CID 102981941
(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine
CID 146554442
3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119514198
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2S)-2-(1-iodobutoxymethyl)pyrrolidine
CID 121274934
2-(pyrrolidin-2-ylmethoxy)pentanoic acid
CID 106939418
ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine (CID 102819966) is (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine is CC(C)CC(C)OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine?
The InChIKey is GKWIDIYUDPLNOX-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-10(3)13-8-11-5-4-6-12-11/h9-12H,4-8H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine?
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 102819966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).