(2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine

C18H35N3O3 — CID 134301849

IUPAC(2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine
SMILESCC[C@H]1CN(C)CC(CN2CC(CN3CCOCC3)O[C@@H](C)C2)O1
InChIInChI=1S/C18H35N3O3/c1-4-16-10-19(3)11-17(24-16)13-21-9-15(2)23-18(14-21)12-20-5-7-22-8-6-20/h15-18H,4-14H2,1-3H3/t15-,16-,17?,18?/m0/s1
InChIKeyROVYKNYIHWLKCX-VYMRPNJYSA-N
MW341.50 g/mol
LogP0.52
Rot. Bonds5

About (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine

(2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine (PubChem CID 134301849) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine
PubChem CID134301849
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Name(2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine
SMILESCC[C@H]1CN(C)CC(CN2CC(CN3CCOCC3)O[C@@H](C)C2)O1
InChIInChI=1S/C18H35N3O3/c1-4-16-10-19(3)11-17(24-16)13-21-9-15(2)23-18(14-21)12-20-5-7-22-8-6-20/h15-18H,4-14H2,1-3H3/t15-,16-,17?,18?/m0/s1
InChIKeyROVYKNYIHWLKCX-VYMRPNJYSA-N
XLogP0.52
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine?
The IUPAC name of (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine (CID 134301849) is (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine is CC[C@H]1CN(C)CC(CN2CC(CN3CCOCC3)O[C@@H](C)C2)O1.
What is the InChIKey of (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine?
The InChIKey is ROVYKNYIHWLKCX-VYMRPNJYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-4-16-10-19(3)11-17(24-16)13-21-9-15(2)23-18(14-21)12-20-5-7-22-8-6-20/h15-18H,4-14H2,1-3H3/t15-,16-,17?,18?/m0/s1.
What are the key properties of (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine?
(2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine has a molecular weight of 341.50 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-methyl-6-[[(2S)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]methyl]morpholine is sourced from PubChem (CID 134301849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).