(2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine

C17H34N2O2 — CID 126513810

IUPAC(2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine
SMILESCCN1C[C@@H](CC[C@H]2CN(C(C)C)C[C@@H](C)O2)O[C@H](C)C1
InChIInChI=1S/C17H34N2O2/c1-6-18-9-14(4)20-16(11-18)7-8-17-12-19(13(2)3)10-15(5)21-17/h13-17H,6-12H2,1-5H3/t14-,15-,16-,17+/m1/s1
InChIKeyAFMDWUKNKGBAJY-VQHPVUNQSA-N
MW298.47 g/mol
LogP2.37
Rot. Bonds5

About (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine

(2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine (PubChem CID 126513810) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine
PubChem CID126513810
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine
SMILESCCN1C[C@@H](CC[C@H]2CN(C(C)C)C[C@@H](C)O2)O[C@H](C)C1
InChIInChI=1S/C17H34N2O2/c1-6-18-9-14(4)20-16(11-18)7-8-17-12-19(13(2)3)10-15(5)21-17/h13-17H,6-12H2,1-5H3/t14-,15-,16-,17+/m1/s1
InChIKeyAFMDWUKNKGBAJY-VQHPVUNQSA-N
XLogP2.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine?
The IUPAC name of (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine (CID 126513810) is (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine.
What is the SMILES notation for (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine?
The canonical SMILES for (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine is CCN1C[C@@H](CC[C@H]2CN(C(C)C)C[C@@H](C)O2)O[C@H](C)C1.
What is the InChIKey of (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine?
The InChIKey is AFMDWUKNKGBAJY-VQHPVUNQSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-18-9-14(4)20-16(11-18)7-8-17-12-19(13(2)3)10-15(5)21-17/h13-17H,6-12H2,1-5H3/t14-,15-,16-,17+/m1/s1.
What are the key properties of (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine?
(2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine has a molecular weight of 298.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[2-[(2R,6R)-4-ethyl-6-methylmorpholin-2-yl]ethyl]-6-methyl-4-propan-2-ylmorpholine is sourced from PubChem (CID 126513810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).