4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine

C13H23NO — CID 2846659

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine
SMILESCC1CN(C2CC3CCC2C3)CC(C)O1
InChIInChI=1S/C13H23NO/c1-9-7-14(8-10(2)15-9)13-6-11-3-4-12(13)5-11/h9-13H,3-8H2,1-2H3
InChIKeyJGRVRVSDECOICA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.28
Rot. Bonds1

About 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine

4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine (PubChem CID 2846659) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine
PubChem CID2846659
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine
SMILESCC1CN(C2CC3CCC2C3)CC(C)O1
InChIInChI=1S/C13H23NO/c1-9-7-14(8-10(2)15-9)13-6-11-3-4-12(13)5-11/h9-13H,3-8H2,1-2H3
InChIKeyJGRVRVSDECOICA-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6R)-4-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 124764201
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(3R,4R)-1,3-dimethylpiperidin-4-yl]piperazine
CID 124864863
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazine
CID 98126141
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
1-[4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]ethanamine
CID 115314828
(2S,6R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2,6-dimethylmorpholin-4-ium
CID 7012471
[4-(2-bicyclo[2.2.1]heptanyl)morpholin-2-yl]methanamine
CID 114397967
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
1-(2-bicyclo[2.2.1]heptanyl)-3-methylpyrrolidin-3-amine
CID 164648789
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylcyclopentan-1-amine
CID 104958406
(2R,6R)-4-cyclohexyl-2,6-dimethylmorpholine
CID 23262067

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine (CID 2846659) is 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine is CC1CN(C2CC3CCC2C3)CC(C)O1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine?
The InChIKey is JGRVRVSDECOICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-7-14(8-10(2)15-9)13-6-11-3-4-12(13)5-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine?
4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine has a molecular weight of 209.33 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 2846659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).