N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine

C9H16N2O — CID 166869851

IUPACN-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine
SMILESC=NC(=C)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H16N2O/c1-7-5-11(9(3)10-4)6-8(2)12-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyOUXDUGBDQFQSRX-YUMQZZPRSA-N
MW168.24 g/mol
LogP1.27
Rot. Bonds2

About N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine

N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine (PubChem CID 166869851) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine
PubChem CID166869851
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine
SMILESC=NC(=C)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H16N2O/c1-7-5-11(9(3)10-4)6-8(2)12-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyOUXDUGBDQFQSRX-YUMQZZPRSA-N
XLogP1.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine?
The IUPAC name of N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine (CID 166869851) is N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine.
What is the SMILES notation for N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine?
The canonical SMILES for N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine is C=NC(=C)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine?
The InChIKey is OUXDUGBDQFQSRX-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-5-11(9(3)10-4)6-8(2)12-7/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine?
N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine has a molecular weight of 168.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethenyl]methanimine is sourced from PubChem (CID 166869851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).