1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane

C16H37NO3 — CID 142338769

IUPAC1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane
SMILESCC.CC(C)C(C)C.CCC(=O)COCCOCCN
InChIInChI=1S/C8H17NO3.C6H14.C2H6/c1-2-8(10)7-12-6-5-11-4-3-9;1-5(2)6(3)4;1-2/h2-7,9H2,1H3;5-6H,1-4H3;1-2H3
InChIKeyCSGLDRWIBMBVQP-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.28
Rot. Bonds9

About 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane

1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane (PubChem CID 142338769) has the molecular formula C16H37NO3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane
PubChem CID142338769
Molecular FormulaC16H37NO3
Molecular Weight291.48 g/mol
Exact Mass291.28
IUPAC Name1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane
SMILESCC.CC(C)C(C)C.CCC(=O)COCCOCCN
InChIInChI=1S/C8H17NO3.C6H14.C2H6/c1-2-8(10)7-12-6-5-11-4-3-9;1-5(2)6(3)4;1-2/h2-7,9H2,1H3;5-6H,1-4H3;1-2H3
InChIKeyCSGLDRWIBMBVQP-UHFFFAOYSA-N
XLogP3.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane 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

1-[2-(2-Aminoethoxy)ethoxy]-3-methylbutan-2-one
CID 58005082
1-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]-3-methylbutan-2-one
CID 58005088
1-[2-(2-Aminoethoxy)ethoxy]butan-2-one
CID 58390435
1-(2-Aminoethoxy)-3-methylbutan-2-one
CID 89197391
1-[2-(2-Aminoethoxy)ethoxy]-3-methylpentan-2-one
CID 90184425
(3S)-1-[2-(2-aminoethoxy)ethoxy]-3-methylpentan-2-one
CID 117842614
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]butan-2-one
CID 118600847
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-one
CID 123473881
1-[4-[4-(2-Aminoethoxy)-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxy-3-methylbutan-2-one
CID 126547663
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]-3-methylbutan-2-one
CID 132191518
3-Methyl-1-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 134186815
(3S)-3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 134600076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane?
The IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane (CID 142338769) is 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane is CC.CC(C)C(C)C.CCC(=O)COCCOCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane?
The InChIKey is CSGLDRWIBMBVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.C6H14.C2H6/c1-2-8(10)7-12-6-5-11-4-3-9;1-5(2)6(3)4;1-2/h2-7,9H2,1H3;5-6H,1-4H3;1-2H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane?
1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane has a molecular weight of 291.48 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane is sourced from PubChem (CID 142338769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).