(2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine

C13H25NO — CID 59771322

IUPAC(2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine
SMILESCC1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C13H25NO/c1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14/h10-13H,4-9H2,1-3H3/t10?,11-,12+,13?
InChIKeyPESFXKOAZLDINT-UNTZMWQOSA-N
MW211.35 g/mol
LogP2.67
Rot. Bonds1

About (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine

(2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine (PubChem CID 59771322) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine
PubChem CID59771322
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine
SMILESCC1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C13H25NO/c1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14/h10-13H,4-9H2,1-3H3/t10?,11-,12+,13?
InChIKeyPESFXKOAZLDINT-UNTZMWQOSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine (CID 59771322) is (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine is CC1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine?
The InChIKey is PESFXKOAZLDINT-UNTZMWQOSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14/h10-13H,4-9H2,1-3H3/t10?,11-,12+,13?.
What are the key properties of (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine?
(2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine has a molecular weight of 211.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-(4-methylcyclohexyl)morpholine is sourced from PubChem (CID 59771322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).