4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one

C14H29NO3 — CID 59866714

IUPAC4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
SMILESCC(C)NCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C14H29NO3/c1-12(2)15-7-9-18-11-10-17-8-6-13(16)14(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyMIYBIYZUPHAXKM-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.02
Rot. Bonds10

About 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one

4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one (PubChem CID 59866714) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
PubChem CID59866714
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
SMILESCC(C)NCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C14H29NO3/c1-12(2)15-7-9-18-11-10-17-8-6-13(16)14(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyMIYBIYZUPHAXKM-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.02
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

5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
3,3-dimethyl-1-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 155040585
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one
CID 160706434
5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 142398269
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
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one
CID 163640751
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one?
The IUPAC name of 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one (CID 59866714) is 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one is CC(C)NCCOCCOCCC(=O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one?
The InChIKey is MIYBIYZUPHAXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-12(2)15-7-9-18-11-10-17-8-6-13(16)14(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one?
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one has a molecular weight of 259.39 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one is sourced from PubChem (CID 59866714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).