2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine

C16H23NO — CID 11470618

IUPAC2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine
SMILESCC1OC(C)(C)CC/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C16H23NO/c1-12(14-8-6-5-7-9-14)17-15-10-11-16(3,4)18-13(15)2/h5-9,12-13H,10-11H2,1-4H3/b17-15+/t12-,13?/m1/s1
InChIKeyYPVUYTCACMTHPX-IFDBTWFKSA-N
MW245.37 g/mol
LogP4.17
Rot. Bonds2

About 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine

2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine (PubChem CID 11470618) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine
PubChem CID11470618
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine
SMILESCC1OC(C)(C)CC/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C16H23NO/c1-12(14-8-6-5-7-9-14)17-15-10-11-16(3,4)18-13(15)2/h5-9,12-13H,10-11H2,1-4H3/b17-15+/t12-,13?/m1/s1
InChIKeyYPVUYTCACMTHPX-IFDBTWFKSA-N
XLogP4.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-2-phenyl-2,3,4,5-tetrahydropyridine
CID 101728541
N-benzyloxan-2-imine
CID 14529227
(4aS,10bS)-5-phenyl-3,4,4a,5,10a,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 134863942
N-benzyl-3-methyloxan-2-imine
CID 134893941
2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 135039730
(5S)-5-benzyl-3-methoxy-6,6-dimethyl-2,5-dihydro-1,4-oxazine
CID 138967074
2,5-Dimethyl-4-phenyl-5,6-dihydro-4H-[1,3]oxazine
CID 605013
3,4,5,6-Tetrahydro-7-methoxy-2-phenyl-2h-azepine
CID 10822028
N-benzyl-4-methoxycyclohexan-1-imine
CID 19962576
6-Ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine
CID 21406190
N-benzyl-4-diazo-2,5-diethoxycyclohex-2-en-1-imine
CID 57123772
N-benzyloxan-4-imine
CID 57179176

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine?
The IUPAC name of 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine (CID 11470618) is 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine.
What is the SMILES notation for 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine?
The canonical SMILES for 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine is CC1OC(C)(C)CC/C1=N\[C@H](C)c1ccccc1.
What is the InChIKey of 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine?
The InChIKey is YPVUYTCACMTHPX-IFDBTWFKSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(14-8-6-5-7-9-14)17-15-10-11-16(3,4)18-13(15)2/h5-9,12-13H,10-11H2,1-4H3/b17-15+/t12-,13?/m1/s1.
What are the key properties of 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine?
2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine has a molecular weight of 245.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-N-[(1R)-1-phenylethyl]oxan-3-imine is sourced from PubChem (CID 11470618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).