4-[(1R,3S)-3-methylcyclohexyl]morpholine

C11H21NO — CID 31196445

IUPAC4-[(1R,3S)-3-methylcyclohexyl]morpholine
SMILESC[C@H]1CCC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C11H21NO/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12/h10-11H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyXYFQRZLHYHHVIQ-WDEREUQCSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds1

About 4-[(1R,3S)-3-methylcyclohexyl]morpholine

4-[(1R,3S)-3-methylcyclohexyl]morpholine (PubChem CID 31196445) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[(1R,3S)-3-methylcyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1R,3S)-3-methylcyclohexyl]morpholine
PubChem CID31196445
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[(1R,3S)-3-methylcyclohexyl]morpholine
SMILESC[C@H]1CCC[C@@H](N2CCOCC2)C1
InChIInChI=1S/C11H21NO/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12/h10-11H,2-9H2,1H3/t10-,11+/m0/s1
InChIKeyXYFQRZLHYHHVIQ-WDEREUQCSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3S)-3-methylcyclohexyl]morpholine?
The IUPAC name of 4-[(1R,3S)-3-methylcyclohexyl]morpholine (CID 31196445) is 4-[(1R,3S)-3-methylcyclohexyl]morpholine.
What is the SMILES notation for 4-[(1R,3S)-3-methylcyclohexyl]morpholine?
The canonical SMILES for 4-[(1R,3S)-3-methylcyclohexyl]morpholine is C[C@H]1CCC[C@@H](N2CCOCC2)C1.
What is the InChIKey of 4-[(1R,3S)-3-methylcyclohexyl]morpholine?
The InChIKey is XYFQRZLHYHHVIQ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21NO/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12/h10-11H,2-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of 4-[(1R,3S)-3-methylcyclohexyl]morpholine?
4-[(1R,3S)-3-methylcyclohexyl]morpholine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3S)-3-methylcyclohexyl]morpholine is sourced from PubChem (CID 31196445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).