3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine

C14H19NO — CID 135194798

IUPAC3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine
SMILESCC1COCC/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-10-16-9-8-14(11)15-12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/b15-14+/t11?,12-/m1/s1
InChIKeyQSYPWTGHDVEDIK-SEQHRXMTSA-N
MW217.31 g/mol
LogP3.24
Rot. Bonds2

About 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine

3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine (PubChem CID 135194798) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine
PubChem CID135194798
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine
SMILESCC1COCC/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11-10-16-9-8-14(11)15-12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/b15-14+/t11?,12-/m1/s1
InChIKeyQSYPWTGHDVEDIK-SEQHRXMTSA-N
XLogP3.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine?
The IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine (CID 135194798) is 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine.
What is the SMILES notation for 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine?
The canonical SMILES for 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine is CC1COCC/C1=N\[C@H](C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine?
The InChIKey is QSYPWTGHDVEDIK-SEQHRXMTSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-10-16-9-8-14(11)15-12(2)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/b15-14+/t11?,12-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine?
3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine has a molecular weight of 217.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-phenylethyl]oxan-4-imine is sourced from PubChem (CID 135194798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).