4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine

C12H20N2O — CID 70974386

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
SMILESC[C@@H]1CN(C2=CCC(N)C=C2)C[C@H](C)O1
InChIInChI=1S/C12H20N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3,5-6,9-11H,4,7-8,13H2,1-2H3/t9-,10+,11?
InChIKeyFPUYGJQJGJPVQU-ZACCUICWSA-N
MW208.30 g/mol
LogP1.27
Rot. Bonds1

About 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 70974386) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
PubChem CID70974386
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
SMILESC[C@@H]1CN(C2=CCC(N)C=C2)C[C@H](C)O1
InChIInChI=1S/C12H20N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3,5-6,9-11H,4,7-8,13H2,1-2H3/t9-,10+,11?
InChIKeyFPUYGJQJGJPVQU-ZACCUICWSA-N
XLogP1.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine (CID 70974386) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine is C[C@@H]1CN(C2=CCC(N)C=C2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is FPUYGJQJGJPVQU-ZACCUICWSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3,5-6,9-11H,4,7-8,13H2,1-2H3/t9-,10+,11?.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70974386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).