1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one

C11H23NO3 — CID 139387762

IUPAC1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one
SMILESCCCC(=O)CNCCCOCCCO
InChIInChI=1S/C11H23NO3/c1-2-5-11(14)10-12-6-3-8-15-9-4-7-13/h12-13H,2-10H2,1H3
InChIKeyIMWQBIHDAXGHDY-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.73
Rot. Bonds11

About 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one

1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one (PubChem CID 139387762) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one.

Molecular Properties

Compound Name1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one
PubChem CID139387762
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one
SMILESCCCC(=O)CNCCCOCCCO
InChIInChI=1S/C11H23NO3/c1-2-5-11(14)10-12-6-3-8-15-9-4-7-13/h12-13H,2-10H2,1H3
InChIKeyIMWQBIHDAXGHDY-UHFFFAOYSA-N
XLogP0.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one 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-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813
N,N-dimethyl-2-(3-propoxypropylamino)acetamide
CID 82942914
1-(2-methoxyethylamino)tetradecan-2-one
CID 116591607
1-(propylamino)tetradecan-2-one
CID 116562895
1-(2,2,2-trifluoroethoxy)heptan-4-one
CID 61490504
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
acetic acid;3-butoxypropan-1-ol
CID 71441465
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
ethane;4-[3-(2-hydroxyethoxy)propylamino]butan-2-one;thiohydroxylamine
CID 142361446

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one?
The IUPAC name of 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one (CID 139387762) is 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one.
What is the SMILES notation for 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one?
The canonical SMILES for 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one is CCCC(=O)CNCCCOCCCO.
What is the InChIKey of 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one?
The InChIKey is IMWQBIHDAXGHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-5-11(14)10-12-6-3-8-15-9-4-7-13/h12-13H,2-10H2,1H3.
What are the key properties of 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one?
1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one has a molecular weight of 217.31 g/mol, XLogP of 0.73, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxypropoxy)propylamino]pentan-2-one is sourced from PubChem (CID 139387762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).