ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine

C16H39NO5 — CID 163400177

IUPACethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCC.CC.CNCCOCCOCCOCCOCCOC
InChIInChI=1S/C12H27NO5.2C2H6/c1-13-3-4-15-7-8-17-11-12-18-10-9-16-6-5-14-2;2*1-2/h13H,3-12H2,1-2H3;2*1-2H3
InChIKeyCFQZGFYJLJJBJB-UHFFFAOYSA-N
MW325.49 g/mol
LogP1.97
Rot. Bonds15

About ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine

ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine (PubChem CID 163400177) has the molecular formula C16H39NO5 and a molecular weight of 325.49 g/mol. Its IUPAC name is ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine.

Molecular Properties

Compound Nameethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
PubChem CID163400177
Molecular FormulaC16H39NO5
Molecular Weight325.49 g/mol
Exact Mass325.28
IUPAC Nameethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCC.CC.CNCCOCCOCCOCCOCCOC
InChIInChI=1S/C12H27NO5.2C2H6/c1-13-3-4-15-7-8-17-11-12-18-10-9-16-6-5-14-2;2*1-2/h13H,3-12H2,1-2H3;2*1-2H3
InChIKeyCFQZGFYJLJJBJB-UHFFFAOYSA-N
XLogP1.97
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
ethane;3-[3-(2-methoxyethoxy)propoxy]-N-methylpropan-1-amine
CID 176551886
ethane;2-methoxy-N-methylethanamine
CID 91504059
methane;2-methoxy-N-methylethanamine
CID 159300149
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
CID 166139470
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The IUPAC name of ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine (CID 163400177) is ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine.
What is the SMILES notation for ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The canonical SMILES for ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine is CC.CC.CNCCOCCOCCOCCOCCOC.
What is the InChIKey of ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The InChIKey is CFQZGFYJLJJBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5.2C2H6/c1-13-3-4-15-7-8-17-11-12-18-10-9-16-6-5-14-2;2*1-2/h13H,3-12H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine?
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine has a molecular weight of 325.49 g/mol, XLogP of 1.97, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine is sourced from PubChem (CID 163400177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).