1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen

C10H23NO3 — CID 142364696

IUPAC1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen
SMILESCCNCCOCCCOCC(C)=O.[H][H]
InChIInChI=1S/C10H21NO3.H2/c1-3-11-5-8-13-6-4-7-14-9-10(2)12;/h11H,3-9H2,1-2H3;1H
InChIKeyBWHWKRHBHYYRGR-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.85
Rot. Bonds10

About 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen

1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen (PubChem CID 142364696) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen
PubChem CID142364696
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen
SMILESCCNCCOCCCOCC(C)=O.[H][H]
InChIInChI=1S/C10H21NO3.H2/c1-3-11-5-8-13-6-4-7-14-9-10(2)12;/h11H,3-9H2,1-2H3;1H
InChIKeyBWHWKRHBHYYRGR-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.85
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

1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one
CID 142364697
4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]butan-2-one
CID 137458388
ethane;2-[2-[2-(ethylamino)ethoxy]ethoxy]-N-methylacetamide
CID 163399935
ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane
CID 142616341
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
N-[2-[2-[2-(ethylamino)ethylamino]ethoxy]ethyl]acetamide
CID 155740927
1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 166662752
3-[2-[2-[4-(ethylamino)butylamino]ethoxy]ethoxy]propanoic acid
CID 153323532
1-[2-[2-[2-[2-(iodoamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 134579487
1-[4-(methylamino)butoxy]propan-2-one
CID 155218362

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen?
The IUPAC name of 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen (CID 142364696) is 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen.
What is the SMILES notation for 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen?
The canonical SMILES for 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen is CCNCCOCCCOCC(C)=O.[H][H].
What is the InChIKey of 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen?
The InChIKey is BWHWKRHBHYYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3.H2/c1-3-11-5-8-13-6-4-7-14-9-10(2)12;/h11H,3-9H2,1-2H3;1H.
What are the key properties of 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen?
1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen has a molecular weight of 205.30 g/mol, XLogP of 0.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one;molecular hydrogen is sourced from PubChem (CID 142364696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).