(3S)-3-[cyclohexyl(methoxy)methyl]morpholine

C12H23NO2 — CID 20648539

IUPAC(3S)-3-[cyclohexyl(methoxy)methyl]morpholine
SMILESCOC(C1CCCCC1)[C@@H]1COCCN1
InChIInChI=1S/C12H23NO2/c1-14-12(10-5-3-2-4-6-10)11-9-15-8-7-13-11/h10-13H,2-9H2,1H3/t11-,12?/m0/s1
InChIKeyUVVLKMJRWUXWSN-PXYINDEMSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds3

About (3S)-3-[cyclohexyl(methoxy)methyl]morpholine

(3S)-3-[cyclohexyl(methoxy)methyl]morpholine (PubChem CID 20648539) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3S)-3-[cyclohexyl(methoxy)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-[cyclohexyl(methoxy)methyl]morpholine
PubChem CID20648539
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3S)-3-[cyclohexyl(methoxy)methyl]morpholine
SMILESCOC(C1CCCCC1)[C@@H]1COCCN1
InChIInChI=1S/C12H23NO2/c1-14-12(10-5-3-2-4-6-10)11-9-15-8-7-13-11/h10-13H,2-9H2,1H3/t11-,12?/m0/s1
InChIKeyUVVLKMJRWUXWSN-PXYINDEMSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Oxa-1-azaspiro[5.5]undecane
CID 22689145
2-Methyl-1-oxa-4-azaspiro[5.5]undecane
CID 55262469
2-[2-(2-Cyclohexylethoxy)ethyl]piperidine
CID 56829863
3-(2-Methoxycyclopentyl)morpholine
CID 119031214
2-(Morpholin-3-yl)cyclohexan-1-ol
CID 121552285
3-Cyclohexylmorpholine hydrochloride
CID 154832834
2-(1-Fluorocyclohexyl)morpholine
CID 20085728
2-[(1-Fluorocyclohexyl)methyl]morpholine
CID 21475576
3-Cyclohexylmorpholine
CID 54373245
2-Cyclohexyl-2-fluoromorpholine
CID 67943994
2-(Cyclohexylmethyl)-2-fluoromorpholine
CID 175482475
N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]propan-2-amine
CID 13370193

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[cyclohexyl(methoxy)methyl]morpholine?
The IUPAC name of (3S)-3-[cyclohexyl(methoxy)methyl]morpholine (CID 20648539) is (3S)-3-[cyclohexyl(methoxy)methyl]morpholine.
What is the SMILES notation for (3S)-3-[cyclohexyl(methoxy)methyl]morpholine?
The canonical SMILES for (3S)-3-[cyclohexyl(methoxy)methyl]morpholine is COC(C1CCCCC1)[C@@H]1COCCN1.
What is the InChIKey of (3S)-3-[cyclohexyl(methoxy)methyl]morpholine?
The InChIKey is UVVLKMJRWUXWSN-PXYINDEMSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-12(10-5-3-2-4-6-10)11-9-15-8-7-13-11/h10-13H,2-9H2,1H3/t11-,12?/m0/s1.
What are the key properties of (3S)-3-[cyclohexyl(methoxy)methyl]morpholine?
(3S)-3-[cyclohexyl(methoxy)methyl]morpholine has a molecular weight of 213.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[cyclohexyl(methoxy)methyl]morpholine is sourced from PubChem (CID 20648539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).