(Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine

C13H24N2O2 — CID 15207821

IUPAC(Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine
SMILESCC[C@@H]1CCCO/C1=N\N1CCC[C@H]1COC
InChIInChI=1S/C13H24N2O2/c1-3-11-6-5-9-17-13(11)14-15-8-4-7-12(15)10-16-2/h11-12H,3-10H2,1-2H3/b14-13-/t11-,12+/m1/s1
InChIKeyWPHVITFPAMTVAC-XWMVSFSJSA-N
MW240.35 g/mol
LogP2.25
Rot. Bonds4

About (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine

(Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine (PubChem CID 15207821) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine.

Molecular Properties

Compound Name(Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine
PubChem CID15207821
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine
SMILESCC[C@@H]1CCCO/C1=N\N1CCC[C@H]1COC
InChIInChI=1S/C13H24N2O2/c1-3-11-6-5-9-17-13(11)14-15-8-4-7-12(15)10-16-2/h11-12H,3-10H2,1-2H3/b14-13-/t11-,12+/m1/s1
InChIKeyWPHVITFPAMTVAC-XWMVSFSJSA-N
XLogP2.25
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine?
The IUPAC name of (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine (CID 15207821) is (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine.
What is the SMILES notation for (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine?
The canonical SMILES for (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine is CC[C@@H]1CCCO/C1=N\N1CCC[C@H]1COC.
What is the InChIKey of (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine?
The InChIKey is WPHVITFPAMTVAC-XWMVSFSJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-11-6-5-9-17-13(11)14-15-8-4-7-12(15)10-16-2/h11-12H,3-10H2,1-2H3/b14-13-/t11-,12+/m1/s1.
What are the key properties of (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine?
(Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine has a molecular weight of 240.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine is sourced from PubChem (CID 15207821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).