ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen

C15H37NO4 — CID 166117976

IUPACethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
SMILESCC.CNCCOCCOCCOCCOCC(C)C.[H][H]
InChIInChI=1S/C13H29NO4.C2H6.H2/c1-13(2)12-18-11-10-17-9-8-16-7-6-15-5-4-14-3;1-2;/h13-14H,4-12H2,1-3H3;1-2H3;1H
InChIKeyHEBZBFSMPJISDJ-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.20
Rot. Bonds14

About ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen

ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen (PubChem CID 166117976) has the molecular formula C15H37NO4 and a molecular weight of 295.46 g/mol. Its IUPAC name is ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
PubChem CID166117976
Molecular FormulaC15H37NO4
Molecular Weight295.46 g/mol
Exact Mass295.27
IUPAC Nameethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
SMILESCC.CNCCOCCOCCOCCOCC(C)C.[H][H]
InChIInChI=1S/C13H29NO4.C2H6.H2/c1-13(2)12-18-11-10-17-9-8-16-7-6-15-5-4-14-3;1-2;/h13-14H,4-12H2,1-3H3;1-2H3;1H
InChIKeyHEBZBFSMPJISDJ-UHFFFAOYSA-N
XLogP2.20
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[3-(2-methylpropoxy)propoxy]propan-1-amine
CID 156523770
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 142623061
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]-3-propan-2-yloxypropan-2-ol
CID 135173496
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106450224
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-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 171646714

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen?
The IUPAC name of ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen (CID 166117976) is ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen.
What is the SMILES notation for ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen?
The canonical SMILES for ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen is CC.CNCCOCCOCCOCCOCC(C)C.[H][H].
What is the InChIKey of ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen?
The InChIKey is HEBZBFSMPJISDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4.C2H6.H2/c1-13(2)12-18-11-10-17-9-8-16-7-6-15-5-4-14-3;1-2;/h13-14H,4-12H2,1-3H3;1-2H3;1H.
What are the key properties of ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen?
ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen has a molecular weight of 295.46 g/mol, XLogP of 2.20, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen is sourced from PubChem (CID 166117976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).