4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine

C12H22N2O — CID 70892510

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
SMILESC[C@@H]1CN(C2C=CC(N)CC2)C[C@H](C)O1
InChIInChI=1S/C12H22N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3,5,9-12H,4,6-8,13H2,1-2H3/t9-,10+,11?,12?
InChIKeyLPOSXIRSFKUNRP-ZYANWLCNSA-N
MW210.32 g/mol
LogP1.14
Rot. Bonds1

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

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine (PubChem CID 70892510) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
PubChem CID70892510
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
SMILESC[C@@H]1CN(C2C=CC(N)CC2)C[C@H](C)O1
InChIInChI=1S/C12H22N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3,5,9-12H,4,6-8,13H2,1-2H3/t9-,10+,11?,12?
InChIKeyLPOSXIRSFKUNRP-ZYANWLCNSA-N
XLogP1.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine (CID 70892510) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine is C[C@@H]1CN(C2C=CC(N)CC2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine?
The InChIKey is LPOSXIRSFKUNRP-ZYANWLCNSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3,5,9-12H,4,6-8,13H2,1-2H3/t9-,10+,11?,12?.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.14, 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]cyclohex-2-en-1-amine is sourced from PubChem (CID 70892510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).