4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine

C13H24N2O — CID 70892540

IUPAC4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine
SMILESCC1[C@@H](C)O[C@@H](C)CN1C1CC=C(N)CC1
InChIInChI=1S/C13H24N2O/c1-9-8-15(10(2)11(3)16-9)13-6-4-12(14)5-7-13/h4,9-11,13H,5-8,14H2,1-3H3/t9-,10?,11+,13?/m0/s1
InChIKeyCOWSFVFFLHZJFB-MSLYCWSTSA-N
MW224.35 g/mol
LogP1.88
Rot. Bonds1

About 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine

4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine (PubChem CID 70892540) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine.

Molecular Properties

Compound Name4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine
PubChem CID70892540
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine
SMILESCC1[C@@H](C)O[C@@H](C)CN1C1CC=C(N)CC1
InChIInChI=1S/C13H24N2O/c1-9-8-15(10(2)11(3)16-9)13-6-4-12(14)5-7-13/h4,9-11,13H,5-8,14H2,1-3H3/t9-,10?,11+,13?/m0/s1
InChIKeyCOWSFVFFLHZJFB-MSLYCWSTSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine?
The IUPAC name of 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine (CID 70892540) is 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine.
What is the SMILES notation for 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine?
The canonical SMILES for 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine is CC1[C@@H](C)O[C@@H](C)CN1C1CC=C(N)CC1.
What is the InChIKey of 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine?
The InChIKey is COWSFVFFLHZJFB-MSLYCWSTSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-8-15(10(2)11(3)16-9)13-6-4-12(14)5-7-13/h4,9-11,13H,5-8,14H2,1-3H3/t9-,10?,11+,13?/m0/s1.
What are the key properties of 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine?
4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine is sourced from PubChem (CID 70892540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).