1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane

C18H41NO5 — CID 177060831

IUPAC1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane
SMILESCC.CCC.CCC(=O)CCOCCOCCOCCOCCN
InChIInChI=1S/C13H27NO5.C3H8.C2H6/c1-2-13(15)3-5-16-7-9-18-11-12-19-10-8-17-6-4-14;1-3-2;1-2/h2-12,14H2,1H3;3H2,1-2H3;1-2H3
InChIKeyCZXAWGSOEVIVDO-UHFFFAOYSA-N
MW351.53 g/mol
LogP2.82
Rot. Bonds15

About 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane

1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane (PubChem CID 177060831) has the molecular formula C18H41NO5 and a molecular weight of 351.53 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane.

Molecular Properties

Compound Name1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane
PubChem CID177060831
Molecular FormulaC18H41NO5
Molecular Weight351.53 g/mol
Exact Mass351.30
IUPAC Name1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane
SMILESCC.CCC.CCC(=O)CCOCCOCCOCCOCCN
InChIInChI=1S/C13H27NO5.C3H8.C2H6/c1-2-13(15)3-5-16-7-9-18-11-12-19-10-8-17-6-4-14;1-3-2;1-2/h2-12,14H2,1H3;3H2,1-2H3;1-2H3
InChIKeyCZXAWGSOEVIVDO-UHFFFAOYSA-N
XLogP2.82
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane?
The IUPAC name of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane (CID 177060831) is 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane.
What is the SMILES notation for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane?
The canonical SMILES for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane is CC.CCC.CCC(=O)CCOCCOCCOCCOCCN.
What is the InChIKey of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane?
The InChIKey is CZXAWGSOEVIVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5.C3H8.C2H6/c1-2-13(15)3-5-16-7-9-18-11-12-19-10-8-17-6-4-14;1-3-2;1-2/h2-12,14H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane?
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane has a molecular weight of 351.53 g/mol, XLogP of 2.82, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;propane is sourced from PubChem (CID 177060831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).