(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine

C17H26N2O2 — CID 25068073

IUPAC(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C\CCCOCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-20-15-17-10-7-12-19(17)18-11-5-6-13-21-14-16-8-3-2-4-9-16/h2-4,8-9,11,17H,5-7,10,12-15H2,1H3/b18-11-/t17-/m0/s1
InChIKeyRRYBPYADHXEKKA-PBXDPIQXSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds9

About (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine

(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine (PubChem CID 25068073) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine
PubChem CID25068073
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C\CCCOCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-20-15-17-10-7-12-19(17)18-11-5-6-13-21-14-16-8-3-2-4-9-16/h2-4,8-9,11,17H,5-7,10,12-15H2,1H3/b18-11-/t17-/m0/s1
InChIKeyRRYBPYADHXEKKA-PBXDPIQXSA-N
XLogP3.08
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine
CID 11009092
(E)-3,3,3-trifluoro-2-methyl-2-phenylmethoxy-N-pyrrolidin-1-ylpropan-1-imine
CID 10732971
(2S,4S)-4-fluoro-1-methyl-2-[[(Z)-4-phenylmethoxybut-2-enoxy]methyl]pyrrolidine
CID 58778459
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 10857334
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 11402354
(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
(Z,4R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-imine
CID 16202285

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine?
The IUPAC name of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine (CID 25068073) is (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine.
What is the SMILES notation for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine?
The canonical SMILES for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine is COC[C@@H]1CCCN1/N=C\CCCOCc1ccccc1.
What is the InChIKey of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine?
The InChIKey is RRYBPYADHXEKKA-PBXDPIQXSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-15-17-10-7-12-19(17)18-11-5-6-13-21-14-16-8-3-2-4-9-16/h2-4,8-9,11,17H,5-7,10,12-15H2,1H3/b18-11-/t17-/m0/s1.
What are the key properties of (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine?
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine has a molecular weight of 290.41 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-4-phenylmethoxybutan-1-imine is sourced from PubChem (CID 25068073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).