(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine

C15H30N2O2 — CID 124874777

IUPAC(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine
SMILESCOC[C@@H]1CCCCN(CCN2CCO[C@@H](C)C2)C1
InChIInChI=1S/C15H30N2O2/c1-14-11-17(9-10-19-14)8-7-16-6-4-3-5-15(12-16)13-18-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyLRMVODRVXHRKCK-LSDHHAIUSA-N
MW270.42 g/mol
LogP1.46
Rot. Bonds5

About (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine

(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine (PubChem CID 124874777) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine
PubChem CID124874777
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine
SMILESCOC[C@@H]1CCCCN(CCN2CCO[C@@H](C)C2)C1
InChIInChI=1S/C15H30N2O2/c1-14-11-17(9-10-19-14)8-7-16-6-4-3-5-15(12-16)13-18-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1
InChIKeyLRMVODRVXHRKCK-LSDHHAIUSA-N
XLogP1.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
CID 154661350
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane
CID 106587374
(2S)-4-(cyclopropylmethyl)-2-methylmorpholine
CID 126997492
(2S)-4-but-3-ynyl-2-methylmorpholine
CID 127004547
(2S)-4-[(2S)-3-methoxy-2-methylpropyl]-2-methylmorpholine
CID 121401096
(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine
CID 124625056
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
(2R)-4-[2-[4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-2-methylmorpholine
CID 124737887
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine (CID 124874777) is (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine is COC[C@@H]1CCCCN(CCN2CCO[C@@H](C)C2)C1.
What is the InChIKey of (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine?
The InChIKey is LRMVODRVXHRKCK-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14-11-17(9-10-19-14)8-7-16-6-4-3-5-15(12-16)13-18-2/h14-15H,3-13H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine?
(2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine has a molecular weight of 270.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-[(3R)-3-(methoxymethyl)azepan-1-yl]ethyl]-2-methylmorpholine is sourced from PubChem (CID 124874777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).