(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine

C20H32N2O2 — CID 11232847

IUPAC(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine
SMILESCCCC[C@H](/C=N/N1CCC[C@H]1COC)COCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-3-4-9-19(16-24-15-18-10-6-5-7-11-18)14-21-22-13-8-12-20(22)17-23-2/h5-7,10-11,14,19-20H,3-4,8-9,12-13,15-17H2,1-2H3/b21-14+/t19-,20+/m1/s1
InChIKeyRHMCEDLQLJEGQF-SFRRKPOLSA-N
MW332.49 g/mol
LogP4.11
Rot. Bonds11

About (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine

(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine (PubChem CID 11232847) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine.

Molecular Properties

Compound Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine
PubChem CID11232847
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine
SMILESCCCC[C@H](/C=N/N1CCC[C@H]1COC)COCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-3-4-9-19(16-24-15-18-10-6-5-7-11-18)14-21-22-13-8-12-20(22)17-23-2/h5-7,10-11,14,19-20H,3-4,8-9,12-13,15-17H2,1-2H3/b21-14+/t19-,20+/m1/s1
InChIKeyRHMCEDLQLJEGQF-SFRRKPOLSA-N
XLogP4.11
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine, 1-nitroso-2-[(phenylmethoxy)methyl]-, (2S)-
CID 10421017
(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine
CID 11009092
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 13329770
(E,2S)-2-benzyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine
CID 14641138
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine
CID 24905695
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine
CID 25068073
2-Methyl-1-(2-phenylmethoxyethyl)-5-propan-2-ylpyrrolidine
CID 76533041
N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine
CID 91019649
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-[(E)-3-methylhex-2-enoxy]-1-phenylethanimine
CID 134880451
(E)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-(3-methylbut-2-enoxy)-1-phenylethanimine
CID 134880725

Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine?
The IUPAC name of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine (CID 11232847) is (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine.
What is the SMILES notation for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine?
The canonical SMILES for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine is CCCC[C@H](/C=N/N1CCC[C@H]1COC)COCc1ccccc1.
What is the InChIKey of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine?
The InChIKey is RHMCEDLQLJEGQF-SFRRKPOLSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-4-9-19(16-24-15-18-10-6-5-7-11-18)14-21-22-13-8-12-20(22)17-23-2/h5-7,10-11,14,19-20H,3-4,8-9,12-13,15-17H2,1-2H3/b21-14+/t19-,20+/m1/s1.
What are the key properties of (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine?
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine has a molecular weight of 332.49 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(phenylmethoxymethyl)hexan-1-imine is sourced from PubChem (CID 11232847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).