(2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine

C12H23NO2 — CID 102820167

IUPAC(2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine
SMILESCOC1CCCC(OC[C@@H]2CCCN2)C1
InChIInChI=1S/C12H23NO2/c1-14-11-5-2-6-12(8-11)15-9-10-4-3-7-13-10/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1
InChIKeyHVSSVUJJUGFBII-UNXYVOJBSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds4

About (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine

(2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine (PubChem CID 102820167) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine
PubChem CID102820167
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine
SMILESCOC1CCCC(OC[C@@H]2CCCN2)C1
InChIInChI=1S/C12H23NO2/c1-14-11-5-2-6-12(8-11)15-9-10-4-3-7-13-10/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1
InChIKeyHVSSVUJJUGFBII-UNXYVOJBSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexyloxymethyl)piperidine
CID 24699703
(2S)-2-(methylperoxymethyl)pyrrolidine
CID 88881099
[(2S)-pyrrolidin-2-yl]methyl methanesulfonate
CID 124584223
N-cyclopropyl-3-methoxy-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 106631554
O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
2-(oxetan-3-yloxymethyl)piperidine
CID 115669762
(2R)-2-(methoxymethyl)pyrrolidine;molecular hydrogen;propane
CID 143635962
2-(oxan-3-yloxymethyl)piperidine
CID 107135321
2-(cyclobutyloxymethyl)piperazine
CID 123475599
[(2S)-pyrrolidin-2-yl]methoxysilane
CID 123846708
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine?
The IUPAC name of (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine (CID 102820167) is (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine is COC1CCCC(OC[C@@H]2CCCN2)C1.
What is the InChIKey of (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine?
The InChIKey is HVSSVUJJUGFBII-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-11-5-2-6-12(8-11)15-9-10-4-3-7-13-10/h10-13H,2-9H2,1H3/t10-,11?,12?/m0/s1.
What are the key properties of (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine?
(2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methoxycyclohexyl)oxymethyl]pyrrolidine is sourced from PubChem (CID 102820167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).