molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one

C10H23NO3 — CID 177155890

IUPACmolecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCNC(C)C.[H][H]
InChIInChI=1S/C10H21NO3.H2/c1-9(2)11-4-5-13-6-7-14-8-10(3)12;/h9,11H,4-8H2,1-3H3;1H
InChIKeyWEQXVURKRCASOF-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.85
Rot. Bonds9

About molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one

molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one (PubChem CID 177155890) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one.

Molecular Properties

Compound Namemolecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
PubChem CID177155890
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Namemolecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCNC(C)C.[H][H]
InChIInChI=1S/C10H21NO3.H2/c1-9(2)11-4-5-13-6-7-14-8-10(3)12;/h9,11H,4-8H2,1-3H3;1H
InChIKeyWEQXVURKRCASOF-UHFFFAOYSA-N
XLogP0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-2-one;molecular hydrogen
CID 142523138
3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen
CID 167520128
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
CID 146201925
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 164557272

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one?
The IUPAC name of molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one (CID 177155890) is molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one.
What is the SMILES notation for molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one?
The canonical SMILES for molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one is CC(=O)COCCOCCNC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one?
The InChIKey is WEQXVURKRCASOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3.H2/c1-9(2)11-4-5-13-6-7-14-8-10(3)12;/h9,11H,4-8H2,1-3H3;1H.
What are the key properties of molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one?
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one has a molecular weight of 205.30 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one is sourced from PubChem (CID 177155890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).