(1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol

C19H30N2O2 — CID 135048327

IUPAC(1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol
SMILESCCC(CC)(OC)[C@@H]1CCCN1/N=C\[C@H](O)Cc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-4-19(5-2,23-3)18-12-9-13-21(18)20-15-17(22)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-18,22H,4-5,9,12-14H2,1-3H3/b20-15-/t17-,18+/m1/s1
InChIKeyYJSIGGCUEAQKNU-VOVPWFJUSA-N
MW318.46 g/mol
LogP3.25
Rot. Bonds8

About (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol

(1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol (PubChem CID 135048327) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol
PubChem CID135048327
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol
SMILESCCC(CC)(OC)[C@@H]1CCCN1/N=C\[C@H](O)Cc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-4-19(5-2,23-3)18-12-9-13-21(18)20-15-17(22)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-18,22H,4-5,9,12-14H2,1-3H3/b20-15-/t17-,18+/m1/s1
InChIKeyYJSIGGCUEAQKNU-VOVPWFJUSA-N
XLogP3.25
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol with MolForge

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Related Compounds

tert-butyl N-[(2S,3R,4E)-3-hydroxy-1-phenyl-4-pyrrolidin-1-yliminobutan-2-yl]carbamate
CID 10860962
(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 10857334
(1E,2R,3S)-3-ethenyl-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-1-phenylhexan-2-ol
CID 10861994
tert-butyl N-[(2S,3S,4E)-3-hydroxy-1-phenyl-4-pyrrolidin-1-yliminobutan-2-yl]carbamate
CID 10904160
(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)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 14168778
(E,2S)-2-benzyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]butan-1-imine
CID 14641138
(1E,2R,3S)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-methyl-1-phenylpent-4-en-2-ol
CID 15256157
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxybutan-1-imine
CID 24905695

Frequently Asked Questions

What is the IUPAC name of (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol?
The IUPAC name of (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol (CID 135048327) is (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol.
What is the SMILES notation for (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol?
The canonical SMILES for (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol is CCC(CC)(OC)[C@@H]1CCCN1/N=C\[C@H](O)Cc1ccccc1.
What is the InChIKey of (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol?
The InChIKey is YJSIGGCUEAQKNU-VOVPWFJUSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-19(5-2,23-3)18-12-9-13-21(18)20-15-17(22)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-18,22H,4-5,9,12-14H2,1-3H3/b20-15-/t17-,18+/m1/s1.
What are the key properties of (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol?
(1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol has a molecular weight of 318.46 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-phenylpropan-2-ol is sourced from PubChem (CID 135048327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).