1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one

C17H35NO4 — CID 59078266

IUPAC1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)NCCOCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C17H35NO4/c1-16(2,3)15(19)7-9-20-11-13-22-14-12-21-10-8-18-17(4,5)6/h18H,7-14H2,1-6H3
InChIKeyZEVBMRHTPIRYLG-UHFFFAOYSA-N
MW317.47 g/mol
LogP2.43
Rot. Bonds12

About 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one

1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one (PubChem CID 59078266) has the molecular formula C17H35NO4 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
PubChem CID59078266
Molecular FormulaC17H35NO4
Molecular Weight317.47 g/mol
Exact Mass317.26
IUPAC Name1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
SMILESCC(C)(C)NCCOCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C17H35NO4/c1-16(2,3)15(19)7-9-20-11-13-22-14-12-21-10-8-18-17(4,5)6/h18H,7-14H2,1-6H3
InChIKeyZEVBMRHTPIRYLG-UHFFFAOYSA-N
XLogP2.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 157213065
4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352
methane;1-methoxy-4,4-dimethylpentan-3-one;N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 158558331
4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one
CID 160706434
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 166662752
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
1-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 162486485
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
1-(2-butoxyethoxy)-4,4-dimethylpentan-3-one
CID 88916536

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one (CID 59078266) is 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one is CC(C)(C)NCCOCCOCCOCCC(=O)C(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one?
The InChIKey is ZEVBMRHTPIRYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4/c1-16(2,3)15(19)7-9-20-11-13-22-14-12-21-10-8-18-17(4,5)6/h18H,7-14H2,1-6H3.
What are the key properties of 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one?
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one has a molecular weight of 317.47 g/mol, XLogP of 2.43, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 59078266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).