(E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine

C20H30N2O2 — CID 10914513

IUPAC(E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine
SMILESC=CC[C@H](/C=N/N1CCC[C@H]1C(C)(C)OC)OCc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-5-10-18(24-16-17-11-7-6-8-12-17)15-21-22-14-9-13-19(22)20(2,3)23-4/h5-8,11-12,15,18-19H,1,9-10,13-14,16H2,2-4H3/b21-15+/t18-,19+/m1/s1
InChIKeyLQVOGTKUPLXSTK-SNXZXXCMSA-N
MW330.47 g/mol
LogP4.02
Rot. Bonds9

About (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine

(E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine (PubChem CID 10914513) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine.

Molecular Properties

Compound Name(E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine
PubChem CID10914513
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine
SMILESC=CC[C@H](/C=N/N1CCC[C@H]1C(C)(C)OC)OCc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-5-10-18(24-16-17-11-7-6-8-12-17)15-21-22-14-9-13-19(22)20(2,3)23-4/h5-8,11-12,15,18-19H,1,9-10,13-14,16H2,2-4H3/b21-15+/t18-,19+/m1/s1
InChIKeyLQVOGTKUPLXSTK-SNXZXXCMSA-N
XLogP4.02
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3E)-1,1,1-trifluoro-3-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]imino-2-methylpropan-2-ol
CID 177556163
Pyrrolidine, 1-nitroso-2-[(phenylmethoxy)methyl]-, (2S)-
CID 10421017
Ctk0J6719
CID 10661477
(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(Z,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
CID 16202285
(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
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(E)-3-phenylprop-2-enyl]oxetan-3-imine
CID 73055851
(Z,2S)-2-benzyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxetan-3-imine
CID 73057857
N-[2-(benzhydryloxymethyl)pyrrolidin-1-yl]methanimine
CID 91019649

Frequently Asked Questions

What is the IUPAC name of (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine?
The IUPAC name of (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine (CID 10914513) is (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine.
What is the SMILES notation for (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine?
The canonical SMILES for (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine is C=CC[C@H](/C=N/N1CCC[C@H]1C(C)(C)OC)OCc1ccccc1.
What is the InChIKey of (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine?
The InChIKey is LQVOGTKUPLXSTK-SNXZXXCMSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-10-18(24-16-17-11-7-6-8-12-17)15-21-22-14-9-13-19(22)20(2,3)23-4/h5-8,11-12,15,18-19H,1,9-10,13-14,16H2,2-4H3/b21-15+/t18-,19+/m1/s1.
What are the key properties of (E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine?
(E,2R)-N-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine has a molecular weight of 330.47 g/mol, XLogP of 4.02, 9 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-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-phenylmethoxypent-4-en-1-imine is sourced from PubChem (CID 10914513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).