(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine

C15H23NO2 — CID 6518409

IUPAC(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine
SMILESCO/N=C\[C@@H](C)[C@H](OCc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-12(2)15(13(3)10-16-17-4)18-11-14-8-6-5-7-9-14/h5-10,12-13,15H,11H2,1-4H3/b16-10-/t13-,15-/m1/s1
InChIKeyXCHZXDWMILELBM-UQMVFRFSSA-N
MW249.35 g/mol
LogP3.50
Rot. Bonds7

About (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine

(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine (PubChem CID 6518409) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine.

Molecular Properties

Compound Name(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine
PubChem CID6518409
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine
SMILESCO/N=C\[C@@H](C)[C@H](OCc1ccccc1)C(C)C
InChIInChI=1S/C15H23NO2/c1-12(2)15(13(3)10-16-17-4)18-11-14-8-6-5-7-9-14/h5-10,12-13,15H,11H2,1-4H3/b16-10-/t13-,15-/m1/s1
InChIKeyXCHZXDWMILELBM-UQMVFRFSSA-N
XLogP3.50
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine?
The IUPAC name of (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine (CID 6518409) is (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine.
What is the SMILES notation for (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine?
The canonical SMILES for (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine is CO/N=C\[C@@H](C)[C@H](OCc1ccccc1)C(C)C.
What is the InChIKey of (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine?
The InChIKey is XCHZXDWMILELBM-UQMVFRFSSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)15(13(3)10-16-17-4)18-11-14-8-6-5-7-9-14/h5-10,12-13,15H,11H2,1-4H3/b16-10-/t13-,15-/m1/s1.
What are the key properties of (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine?
(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine has a molecular weight of 249.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine is sourced from PubChem (CID 6518409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).