1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one

C14H29NO3 — CID 166946062

IUPAC1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one
SMILESCCCC(=O)COCCOCCNC(C)(C)CC
InChIInChI=1S/C14H29NO3/c1-5-7-13(16)12-18-11-10-17-9-8-15-14(3,4)6-2/h15H,5-12H2,1-4H3
InChIKeyHBHLFUYYHGUQSP-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.17
Rot. Bonds12

About 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one

1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one (PubChem CID 166946062) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one
PubChem CID166946062
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one
SMILESCCCC(=O)COCCOCCNC(C)(C)CC
InChIInChI=1S/C14H29NO3/c1-5-7-13(16)12-18-11-10-17-9-8-15-14(3,4)6-2/h15H,5-12H2,1-4H3
InChIKeyHBHLFUYYHGUQSP-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.17
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-methoxyethoxy)ethoxy]pentan-2-one
CID 104563962
N-ethyl-2-[2-(2-oxopentoxy)ethoxy]acetamide
CID 157484818
1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 166662752
1-[2-(2-methylpropoxy)ethoxy]pentan-2-one
CID 106448350
4-oxo-N-[2-[5-(2-oxopentoxy)pentoxy]ethyl]pentanamide
CID 178032711
3-ethyl-3-methyl-1-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethoxy]hexan-2-one
CID 91440027
4-butyl-4-methyl-1-[2-[2-(2-methylpentan-2-ylamino)ethoxy]ethoxy]nonan-3-one
CID 139546444
1,4-dioctoxybutan-2-one
CID 71375550
N-(2-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 62335943
N-ethyl-2-[2-[4-oxo-5-[2-[2-[[2-[2-[4-oxo-5-(2-propoxyethoxy)pentoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]pentoxy]ethoxy]acetamide
CID 157294049
molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 178126322
4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one?
The IUPAC name of 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one (CID 166946062) is 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one.
What is the SMILES notation for 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one?
The canonical SMILES for 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one is CCCC(=O)COCCOCCNC(C)(C)CC.
What is the InChIKey of 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one?
The InChIKey is HBHLFUYYHGUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-7-13(16)12-18-11-10-17-9-8-15-14(3,4)6-2/h15H,5-12H2,1-4H3.
What are the key properties of 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one?
1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one has a molecular weight of 259.39 g/mol, XLogP of 2.17, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one is sourced from PubChem (CID 166946062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).