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

C10H21NO3 — CID 142364697

IUPAC1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one
SMILESCCNCCOCCCOCC(C)=O
InChIInChI=1S/C10H21NO3/c1-3-11-5-8-13-6-4-7-14-9-10(2)12/h11H,3-9H2,1-2H3
InChIKeyIIISNVCPTBOLFF-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.61
Rot. Bonds10

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

1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one (PubChem CID 142364697) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one.

Molecular Properties

Compound Name1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one
PubChem CID142364697
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one
SMILESCCNCCOCCCOCC(C)=O
InChIInChI=1S/C10H21NO3/c1-3-11-5-8-13-6-4-7-14-9-10(2)12/h11H,3-9H2,1-2H3
InChIKeyIIISNVCPTBOLFF-UHFFFAOYSA-N
XLogP0.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.61
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;molecular hydrogen
CID 142364696
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-[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
1-[2-[2-[2-[2-(iodoamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 134579487
1-[4-(methylamino)butoxy]propan-2-one
CID 155218362
1-hexadecoxypropan-2-one
CID 15701879
N-[2-(2-oxopropoxy)ethyl]acetamide
CID 144871697
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
CID 156794458

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one?
The IUPAC name of 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one (CID 142364697) is 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one.
What is the SMILES notation for 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one?
The canonical SMILES for 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one is CCNCCOCCCOCC(C)=O.
What is the InChIKey of 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one?
The InChIKey is IIISNVCPTBOLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-11-5-8-13-6-4-7-14-9-10(2)12/h11H,3-9H2,1-2H3.
What are the key properties of 1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one?
1-[3-[2-(ethylamino)ethoxy]propoxy]propan-2-one has a molecular weight of 203.28 g/mol, XLogP of 0.61, 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 is sourced from PubChem (CID 142364697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).