ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine

C25H55NO5 — CID 177319371

IUPACethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
SMILESCC.CCN(CCOC)CCOCCOCCOCCOCC(C)(C)CC(C)(C)CC
InChIInChI=1S/C23H49NO5.C2H6/c1-8-22(3,4)20-23(5,6)21-29-19-18-28-17-16-27-15-14-26-13-11-24(9-2)10-12-25-7;1-2/h8-21H2,1-7H3;1-2H3
InChIKeyHFBLIWQVWHAHIN-UHFFFAOYSA-N
MW449.72 g/mol
LogP4.90
Rot. Bonds21

About ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine

ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine (PubChem CID 177319371) has the molecular formula C25H55NO5 and a molecular weight of 449.72 g/mol. Its IUPAC name is ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
PubChem CID177319371
Molecular FormulaC25H55NO5
Molecular Weight449.72 g/mol
Exact Mass449.41
IUPAC Nameethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
SMILESCC.CCN(CCOC)CCOCCOCCOCCOCC(C)(C)CC(C)(C)CC
InChIInChI=1S/C23H49NO5.C2H6/c1-8-22(3,4)20-23(5,6)21-29-19-18-28-17-16-27-15-14-26-13-11-24(9-2)10-12-25-7;1-2/h8-21H2,1-7H3;1-2H3
InChIKeyHFBLIWQVWHAHIN-UHFFFAOYSA-N
XLogP4.90
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.72
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine
CID 63666499
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 114263721
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-[2-[bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]-N',N'-bis[2-[2-[bis(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 140767739
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
3-[2-(diethylamino)ethoxymethyl]pentan-3-amine
CID 64571654
1-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 103182794
boranuide;2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine;rubidium(1+)
CID 139243294
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine?
The IUPAC name of ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine (CID 177319371) is ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine.
What is the SMILES notation for ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine?
The canonical SMILES for ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine is CC.CCN(CCOC)CCOCCOCCOCCOCC(C)(C)CC(C)(C)CC.
What is the InChIKey of ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine?
The InChIKey is HFBLIWQVWHAHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO5.C2H6/c1-8-22(3,4)20-23(5,6)21-29-19-18-28-17-16-27-15-14-26-13-11-24(9-2)10-12-25-7;1-2/h8-21H2,1-7H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine?
ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine has a molecular weight of 449.72 g/mol, XLogP of 4.90, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine is sourced from PubChem (CID 177319371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).