ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen

C13H33NO4 — CID 142368872

IUPACethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen
SMILESCC.CCOCCCOCCOCCOCCN.[H][H]
InChIInChI=1S/C11H25NO4.C2H6.H2/c1-2-13-5-3-6-14-8-10-16-11-9-15-7-4-12;1-2;/h2-12H2,1H3;1-2H3;1H
InChIKeyIEPIFCRNDYJONS-UHFFFAOYSA-N
MW267.41 g/mol
LogP1.69
Rot. Bonds13

About ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen

ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen (PubChem CID 142368872) has the molecular formula C13H33NO4 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen
PubChem CID142368872
Molecular FormulaC13H33NO4
Molecular Weight267.41 g/mol
Exact Mass267.24
IUPAC Nameethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen
SMILESCC.CCOCCCOCCOCCOCCN.[H][H]
InChIInChI=1S/C11H25NO4.C2H6.H2/c1-2-13-5-3-6-14-8-10-16-11-9-15-7-4-12;1-2;/h2-12H2,1H3;1-2H3;1H
InChIKeyIEPIFCRNDYJONS-UHFFFAOYSA-N
XLogP1.69
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 51.69
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

ethane;2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365421
2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365297
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
molecular hydrogen;2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 169185868
2-[2-[3-[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethanamine
CID 146320426
2-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]ethanamine
CID 103482612
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
ethane;1-ethoxybutane;molecular hydrogen
CID 143792167
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen?
The IUPAC name of ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen (CID 142368872) is ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen.
What is the SMILES notation for ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen?
The canonical SMILES for ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen is CC.CCOCCCOCCOCCOCCN.[H][H].
What is the InChIKey of ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen?
The InChIKey is IEPIFCRNDYJONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4.C2H6.H2/c1-2-13-5-3-6-14-8-10-16-11-9-15-7-4-12;1-2;/h2-12H2,1H3;1-2H3;1H.
What are the key properties of ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen?
ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen has a molecular weight of 267.41 g/mol, XLogP of 1.69, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen is sourced from PubChem (CID 142368872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).