ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane

C15H37NO3 — CID 166139470

IUPACethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
SMILESCC.CCC.CCCOCCOCCOCCNC
InChIInChI=1S/C10H23NO3.C3H8.C2H6/c1-3-5-12-7-9-14-10-8-13-6-4-11-2;1-3-2;1-2/h11H,3-10H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyQZAIHECFFNISAR-UHFFFAOYSA-N
MW279.46 g/mol
LogP3.11
Rot. Bonds11

About ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane

ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane (PubChem CID 166139470) has the molecular formula C15H37NO3 and a molecular weight of 279.46 g/mol. Its IUPAC name is ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane.

Molecular Properties

Compound Nameethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
PubChem CID166139470
Molecular FormulaC15H37NO3
Molecular Weight279.46 g/mol
Exact Mass279.28
IUPAC Nameethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane
SMILESCC.CCC.CCCOCCOCCOCCNC
InChIInChI=1S/C10H23NO3.C3H8.C2H6/c1-3-5-12-7-9-14-10-8-13-6-4-11-2;1-3-2;1-2/h11H,3-10H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyQZAIHECFFNISAR-UHFFFAOYSA-N
XLogP3.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 129308437
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
N-methyl-4-[2-(2-propoxyethoxy)ethoxy]butan-1-amine
CID 155331327
ethane;propane;1-propoxypropane
CID 143757970
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
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
ethane;3-[2-(methylamino)ethoxy]propan-1-amine
CID 170614807

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane?
The IUPAC name of ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane (CID 166139470) is ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane.
What is the SMILES notation for ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane?
The canonical SMILES for ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane is CC.CCC.CCCOCCOCCOCCNC.
What is the InChIKey of ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane?
The InChIKey is QZAIHECFFNISAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3.C3H8.C2H6/c1-3-5-12-7-9-14-10-8-13-6-4-11-2;1-3-2;1-2/h11H,3-10H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane?
ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane has a molecular weight of 279.46 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[2-(2-propoxyethoxy)ethoxy]ethanamine;propane is sourced from PubChem (CID 166139470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).