N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine

C15H21NO2 — CID 144540879

IUPACN-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
SMILESC=CC[C@H](COCc1ccccc1)OC/C=N/C
InChIInChI=1S/C15H21NO2/c1-3-7-15(18-11-10-16-2)13-17-12-14-8-5-4-6-9-14/h3-6,8-10,15H,1,7,11-13H2,2H3/b16-10+/t15-/m1/s1
InChIKeyWUUZDSGDWCLJSF-VGVSSDJJSA-N
MW247.34 g/mol
LogP2.87
Rot. Bonds9

About N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine

N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine (PubChem CID 144540879) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine.

Molecular Properties

Compound NameN-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
PubChem CID144540879
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
SMILESC=CC[C@H](COCc1ccccc1)OC/C=N/C
InChIInChI=1S/C15H21NO2/c1-3-7-15(18-11-10-16-2)13-17-12-14-8-5-4-6-9-14/h3-6,8-10,15H,1,7,11-13H2,2H3/b16-10+/t15-/m1/s1
InChIKeyWUUZDSGDWCLJSF-VGVSSDJJSA-N
XLogP2.87
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
N-benzyl-2-(1-phenylmethoxypent-4-en-2-yloxy)ethanimine oxide
CID 14979664
(E,5R)-5-[(2E)-2-hydroxyiminoethoxy]-6-phenylmethoxyhex-2-en-1-ol
CID 134967032
N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine
CID 166843275
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473
(2S,3S)-N-benzyl-1,2-bis(phenylmethoxy)hex-5-en-3-amine
CID 101218139
1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
CID 21317630
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578
tert-butyl N-[(2S)-3-phenylmethoxy-2-prop-2-enoxypropyl]-N-prop-2-enylcarbamate
CID 171841242
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine?
The IUPAC name of N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine (CID 144540879) is N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine.
What is the SMILES notation for N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine?
The canonical SMILES for N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine is C=CC[C@H](COCc1ccccc1)OC/C=N/C.
What is the InChIKey of N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine?
The InChIKey is WUUZDSGDWCLJSF-VGVSSDJJSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-7-15(18-11-10-16-2)13-17-12-14-8-5-4-6-9-14/h3-6,8-10,15H,1,7,11-13H2,2H3/b16-10+/t15-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine?
N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine has a molecular weight of 247.34 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine is sourced from PubChem (CID 144540879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).