(E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine

C18H26N2O — CID 162755564

IUPAC(E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine
SMILESC=C(O/N=C(/c1ccccc1)C(C)CC)C1CCN(C)C1
InChIInChI=1S/C18H26N2O/c1-5-14(2)18(16-9-7-6-8-10-16)19-21-15(3)17-11-12-20(4)13-17/h6-10,14,17H,3,5,11-13H2,1-2,4H3/b19-18+
InChIKeyJEGSJAWFEDAZDB-VHEBQXMUSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds6

About (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine

(E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine (PubChem CID 162755564) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine
PubChem CID162755564
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine
SMILESC=C(O/N=C(/c1ccccc1)C(C)CC)C1CCN(C)C1
InChIInChI=1S/C18H26N2O/c1-5-14(2)18(16-9-7-6-8-10-16)19-21-15(3)17-11-12-20(4)13-17/h6-10,14,17H,3,5,11-13H2,1-2,4H3/b19-18+
InChIKeyJEGSJAWFEDAZDB-VHEBQXMUSA-N
XLogP3.92
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
CID 56648685
8-(Cyclopropylmethyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134787259
7-Benzyl-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134788872
3-Phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 102494046
9-Methyl-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 56934306
8-Methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 11064249
4-(benzhydrylideneamino)oxy-N,N-dimethylbutan-1-amine
CID 10732722
(4S,5S)-3-phenyl-4-propyl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 135021023
(4S,5S)-4-butyl-3-phenyl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 135021024
(4S,5S)-4-pentyl-3-phenyl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 135021025
(4S,5S)-4-benzyl-3-phenyl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 135021027
(4S,5S)-3-phenyl-4-propan-2-yl-5-pyrrolidin-1-yl-4,5-dihydro-1,2-oxazole
CID 135041366

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine?
The IUPAC name of (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine (CID 162755564) is (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine.
What is the SMILES notation for (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine?
The canonical SMILES for (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine is C=C(O/N=C(/c1ccccc1)C(C)CC)C1CCN(C)C1.
What is the InChIKey of (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine?
The InChIKey is JEGSJAWFEDAZDB-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-14(2)18(16-9-7-6-8-10-16)19-21-15(3)17-11-12-20(4)13-17/h6-10,14,17H,3,5,11-13H2,1-2,4H3/b19-18+.
What are the key properties of (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine?
(E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine has a molecular weight of 286.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[1-(1-methylpyrrolidin-3-yl)ethenoxy]-1-phenylbutan-1-imine is sourced from PubChem (CID 162755564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).