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

C14H29NO3 — CID 160706434

IUPAC4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one
SMILESCCCNCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C14H29NO3/c1-5-7-15-8-10-18-12-11-17-9-6-13(16)14(2,3)4/h15H,5-12H2,1-4H3
InChIKeyPGKBUZMOKWUUSE-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.02
Rot. Bonds11

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

4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one (PubChem CID 160706434) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one
PubChem CID160706434
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one
SMILESCCCNCCOCCOCCC(=O)C(C)(C)C
InChIInChI=1S/C14H29NO3/c1-5-7-15-8-10-18-12-11-17-9-6-13(16)14(2,3)4/h15H,5-12H2,1-4H3
InChIKeyPGKBUZMOKWUUSE-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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

N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
1-(2-butoxyethoxy)-4,4-dimethylpentan-3-one
CID 88916536
2,2-dimethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166167995
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
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
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
tert-butyl 3-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132148
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
2-[2-(propylamino)ethoxy]ethyl pentanoate
CID 82532625
3-[2-[2-[2-[2-[3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 156873078

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one?
The IUPAC name of 4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one (CID 160706434) is 4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one is CCCNCCOCCOCCC(=O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one?
The InChIKey is PGKBUZMOKWUUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-7-15-8-10-18-12-11-17-9-6-13(16)14(2,3)4/h15H,5-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one?
4,4-dimethyl-1-[2-[2-(propylamino)ethoxy]ethoxy]pentan-3-one has a molecular weight of 259.39 g/mol, XLogP of 2.02, 11 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-(propylamino)ethoxy]ethoxy]pentan-3-one is sourced from PubChem (CID 160706434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).