(E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine

C15H23NO — CID 134883788

IUPAC(E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine
SMILESCCC[C@@H](O/N=C/CC(C)C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-8-15(14-9-6-5-7-10-14)17-16-12-11-13(2)3/h5-7,9-10,12-13,15H,4,8,11H2,1-3H3/b16-12+/t15-/m1/s1
InChIKeyLNFSRUDXRDIGHM-XYGUXCPDSA-N
MW233.36 g/mol
LogP4.58
Rot. Bonds7

About (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine

(E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine (PubChem CID 134883788) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine
PubChem CID134883788
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine
SMILESCCC[C@@H](O/N=C/CC(C)C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-8-15(14-9-6-5-7-10-14)17-16-12-11-13(2)3/h5-7,9-10,12-13,15H,4,8,11H2,1-3H3/b16-12+/t15-/m1/s1
InChIKeyLNFSRUDXRDIGHM-XYGUXCPDSA-N
XLogP4.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propanone, O-(phenylmethyl)oxime
CID 18803
Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
CID 337795
3-Bromo-5-phenyl-4,5-dihydroisoxazole
CID 13228169
5-Phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445647
5-Phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 44585631
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
N-phenylmethoxymethanimine
CID 561610
O-benzylbenzaldoxime
CID 561973
4-Benzyl-4,5-dihydroisoxazole
CID 562962
5-Phenylisoxazoline
CID 568817
3-Isopropyl-5-phenylisoxazoline
CID 5326289
Pentanal O-benzyloxime
CID 9602269

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine?
The IUPAC name of (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine (CID 134883788) is (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine.
What is the SMILES notation for (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine?
The canonical SMILES for (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine is CCC[C@@H](O/N=C/CC(C)C)c1ccccc1.
What is the InChIKey of (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine?
The InChIKey is LNFSRUDXRDIGHM-XYGUXCPDSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-8-15(14-9-6-5-7-10-14)17-16-12-11-13(2)3/h5-7,9-10,12-13,15H,4,8,11H2,1-3H3/b16-12+/t15-/m1/s1.
What are the key properties of (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine?
(E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine has a molecular weight of 233.36 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine is sourced from PubChem (CID 134883788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).