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

C11H25NO3 — CID 176981069

IUPACmolecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
SMILESCCC(=O)COCCOCCNC(C)C.[H][H]
InChIInChI=1S/C11H23NO3.H2/c1-4-11(13)9-15-8-7-14-6-5-12-10(2)3;/h10,12H,4-9H2,1-3H3;1H
InChIKeyUGLRUPHDLXQZFP-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.24
Rot. Bonds10

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

molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one (PubChem CID 176981069) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Namemolecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
PubChem CID176981069
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Namemolecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
SMILESCCC(=O)COCCOCCNC(C)C.[H][H]
InChIInChI=1S/C11H23NO3.H2/c1-4-11(13)9-15-8-7-14-6-5-12-10(2)3;/h10,12H,4-9H2,1-3H3;1H
InChIKeyUGLRUPHDLXQZFP-UHFFFAOYSA-N
XLogP1.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
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
1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethylamino]butan-2-one
CID 176580900
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
CID 163495040
2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 138726748
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one
CID 170056959

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one?
The IUPAC name of molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one (CID 176981069) is molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one?
The canonical SMILES for molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one is CCC(=O)COCCOCCNC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one?
The InChIKey is UGLRUPHDLXQZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.H2/c1-4-11(13)9-15-8-7-14-6-5-12-10(2)3;/h10,12H,4-9H2,1-3H3;1H.
What are the key properties of molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one?
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one has a molecular weight of 219.32 g/mol, XLogP of 1.24, 10 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]butan-2-one is sourced from PubChem (CID 176981069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).