1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine

C11H23NO2 — CID 158825084

IUPAC1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine
SMILESCCC1C[C@H](CNC)C(C)[C@@H](OC)O1
InChIInChI=1S/C11H23NO2/c1-5-10-6-9(7-12-3)8(2)11(13-4)14-10/h8-12H,5-7H2,1-4H3/t8?,9-,10?,11+/m1/s1
InChIKeyIWIWBABMVGLLPM-DJRKXVOMSA-N
MW201.31 g/mol
LogP1.63
Rot. Bonds4

About 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine

1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine (PubChem CID 158825084) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine
PubChem CID158825084
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine
SMILESCCC1C[C@H](CNC)C(C)[C@@H](OC)O1
InChIInChI=1S/C11H23NO2/c1-5-10-6-9(7-12-3)8(2)11(13-4)14-10/h8-12H,5-7H2,1-4H3/t8?,9-,10?,11+/m1/s1
InChIKeyIWIWBABMVGLLPM-DJRKXVOMSA-N
XLogP1.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine 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

(3R,4S,6R)-6-ethyl-2-methoxy-3,4-dimethyloxane
CID 90394865
5-ethyl-2-methyloxolan-3-amine
CID 59712801
4-ethyl-2-methoxy-6-methyloxan-3-ol
CID 123374127
[4,5-diacetyloxy-6-methoxy-2-(methylaminomethyl)oxan-3-yl] acetate
CID 147641318
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267
(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane
CID 163476629
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850
1-[(2R)-2-methoxycyclohexyl]-N-methylmethanamine
CID 142251014
4-ethyloxetan-2-ol
CID 151879220
(1R,2R,3R,5S,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
CID 13019101
2-ethyl-6-methoxy-5-methyloxan-3-ol
CID 91204206
2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane
CID 91273987

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine (CID 158825084) is 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine is CCC1C[C@H](CNC)C(C)[C@@H](OC)O1.
What is the InChIKey of 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine?
The InChIKey is IWIWBABMVGLLPM-DJRKXVOMSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-10-6-9(7-12-3)8(2)11(13-4)14-10/h8-12H,5-7H2,1-4H3/t8?,9-,10?,11+/m1/s1.
What are the key properties of 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine?
1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-6-ethyl-2-methoxy-3-methyloxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 158825084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).