2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine

C20H43NO2 — CID 27255212

IUPAC2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
SMILESCCCC[C@@H](CC)COCCNCCOC[C@@H](CC)CCCC
InChIInChI=1S/C20H43NO2/c1-5-9-11-19(7-3)17-22-15-13-21-14-16-23-18-20(8-4)12-10-6-2/h19-21H,5-18H2,1-4H3/t19-,20+
InChIKeyNLFVPFWRZJSSOV-BGYRXZFFSA-N
MW329.57 g/mol
LogP5.04
Rot. Bonds18

About 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine

2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine (PubChem CID 27255212) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
PubChem CID27255212
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
SMILESCCCC[C@@H](CC)COCCNCCOC[C@@H](CC)CCCC
InChIInChI=1S/C20H43NO2/c1-5-9-11-19(7-3)17-22-15-13-21-14-16-23-18-20(8-4)12-10-6-2/h19-21H,5-18H2,1-4H3/t19-,20+
InChIKeyNLFVPFWRZJSSOV-BGYRXZFFSA-N
XLogP5.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[2-(2-ethylhexoxy)ethyl]ethanamine
CID 62597434
N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 55196096
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
CID 97464992
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
tris[3-(2-ethylhexoxy)propyl]azanium
CID 173204281
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
6-(2-ethylhexoxy)-N-propylhexan-2-amine
CID 63475972

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine?
The IUPAC name of 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine (CID 27255212) is 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine.
What is the SMILES notation for 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine?
The canonical SMILES for 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine is CCCC[C@@H](CC)COCCNCCOC[C@@H](CC)CCCC.
What is the InChIKey of 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine?
The InChIKey is NLFVPFWRZJSSOV-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H43NO2/c1-5-9-11-19(7-3)17-22-15-13-21-14-16-23-18-20(8-4)12-10-6-2/h19-21H,5-18H2,1-4H3/t19-,20+.
What are the key properties of 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine?
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine has a molecular weight of 329.57 g/mol, XLogP of 5.04, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine is sourced from PubChem (CID 27255212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).