2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine

C30H63NO3 — CID 97464992

IUPAC2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
SMILESCCCC[C@H](CC)COCCN(CCOC[C@@H](CC)CCCC)CCOC[C@@H](CC)CCCC
InChIInChI=1S/C30H63NO3/c1-7-13-16-28(10-4)25-32-22-19-31(20-23-33-26-29(11-5)17-14-8-2)21-24-34-27-30(12-6)18-15-9-3/h28-30H,7-27H2,1-6H3/t28-,29-,30-/m0/s1
InChIKeyIUPZQZJVXNSYNP-DTXPUJKBSA-N
MW485.84 g/mol
LogP7.99
Rot. Bonds27

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

2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine (PubChem CID 97464992) has the molecular formula C30H63NO3 and a molecular weight of 485.84 g/mol. Its IUPAC name is 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
PubChem CID97464992
Molecular FormulaC30H63NO3
Molecular Weight485.84 g/mol
Exact Mass485.48
IUPAC Name2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
SMILESCCCC[C@H](CC)COCCN(CCOC[C@@H](CC)CCCC)CCOC[C@@H](CC)CCCC
InChIInChI=1S/C30H63NO3/c1-7-13-16-28(10-4)25-32-22-19-31(20-23-33-26-29(11-5)17-14-8-2)21-24-34-27-30(12-6)18-15-9-3/h28-30H,7-27H2,1-6H3/t28-,29-,30-/m0/s1
InChIKeyIUPZQZJVXNSYNP-DTXPUJKBSA-N
XLogP7.99
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.84
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine with MolForge

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
tris[3-(2-ethylhexoxy)propyl]azanium
CID 173204281
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
8-(2-ethylhexoxy)octan-1-amine
CID 87537137
6-(2-ethylhexoxy)hexan-3-amine
CID 106800840

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine?
The IUPAC name of 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine (CID 97464992) is 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine.
What is the SMILES notation for 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine?
The canonical SMILES for 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine is CCCC[C@H](CC)COCCN(CCOC[C@@H](CC)CCCC)CCOC[C@@H](CC)CCCC.
What is the InChIKey of 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine?
The InChIKey is IUPZQZJVXNSYNP-DTXPUJKBSA-N. The full InChI is InChI=1S/C30H63NO3/c1-7-13-16-28(10-4)25-32-22-19-31(20-23-33-26-29(11-5)17-14-8-2)21-24-34-27-30(12-6)18-15-9-3/h28-30H,7-27H2,1-6H3/t28-,29-,30-/m0/s1.
What are the key properties of 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine?
2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine has a molecular weight of 485.84 g/mol, XLogP of 7.99, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine is sourced from PubChem (CID 97464992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).