4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine

C13H22N2O — CID 70974452

IUPAC4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine
SMILESCC1=C(N)C=CC(N2CC(C)OC(C)C2)C1
InChIInChI=1S/C13H22N2O/c1-9-6-12(4-5-13(9)14)15-7-10(2)16-11(3)8-15/h4-5,10-12H,6-8,14H2,1-3H3
InChIKeyKKYQPUIUGHFEFI-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.66
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine

4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine (PubChem CID 70974452) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine
PubChem CID70974452
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine
SMILESCC1=C(N)C=CC(N2CC(C)OC(C)C2)C1
InChIInChI=1S/C13H22N2O/c1-9-6-12(4-5-13(9)14)15-7-10(2)16-11(3)8-15/h4-5,10-12H,6-8,14H2,1-3H3
InChIKeyKKYQPUIUGHFEFI-UHFFFAOYSA-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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Related Compounds

4-(3-Fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892383
4-(2,6-Dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine
CID 70892539
4-(2,6-Dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 70974453
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine
CID 71034450
5-Methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
CID 19754038
2-Methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
CID 67208578
N-ethyl-2-(2-morpholin-4-ylethyl)cyclohexa-1,3-dien-1-amine
CID 70333386
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-amine
CID 70892510
4-(2,6-Dimethylmorpholin-4-yl)-3,6-dimethylcyclohexa-1,3-dien-1-amine
CID 70892516
4-[(2R,6S)-2,3,6-trimethylmorpholin-4-yl]cyclohexen-1-amine
CID 70892540
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 70892577
4-(2,6-Dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892610

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine (CID 70974452) is 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine is CC1=C(N)C=CC(N2CC(C)OC(C)C2)C1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is KKYQPUIUGHFEFI-UHFFFAOYSA-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/h4-5,10-12H,6-8,14H2,1-3H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine?
4-(2,6-dimethylmorpholin-4-yl)-2-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-(2,6-dimethylmorpholin-4-yl)-2-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70974452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).