4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine

C13H22N2O — CID 70974489

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(N2C[C@@H](C)O[C@@H](C)C2)CC=C1N
InChIInChI=1S/C13H22N2O/c1-9-6-12(4-5-13(9)14)15-7-10(2)16-11(3)8-15/h5-6,10-12H,4,7-8,14H2,1-3H3/t10-,11+,12?
InChIKeyTUJGQANUCLZKQI-FOSCPWQOSA-N
MW222.33 g/mol
LogP1.66
Rot. Bonds1

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine (PubChem CID 70974489) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine
PubChem CID70974489
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(N2C[C@@H](C)O[C@@H](C)C2)CC=C1N
InChIInChI=1S/C13H22N2O/c1-9-6-12(4-5-13(9)14)15-7-10(2)16-11(3)8-15/h5-6,10-12H,4,7-8,14H2,1-3H3/t10-,11+,12?
InChIKeyTUJGQANUCLZKQI-FOSCPWQOSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine (CID 70974489) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine is CC1=CC(N2C[C@@H](C)O[C@@H](C)C2)CC=C1N.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is TUJGQANUCLZKQI-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-6-12(4-5-13(9)14)15-7-10(2)16-11(3)8-15/h5-6,10-12H,4,7-8,14H2,1-3H3/t10-,11+,12?.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 222.33 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70974489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).