5-amino-1-propoxypentan-2-one

C8H17NO2 — CID 116553325

IUPAC5-amino-1-propoxypentan-2-one
SMILESCCCOCC(=O)CCCN
InChIInChI=1S/C8H17NO2/c1-2-6-11-7-8(10)4-3-5-9/h2-7,9H2,1H3
InChIKeyHJZZCYDSJNHISN-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.72
Rot. Bonds7

About 5-amino-1-propoxypentan-2-one

5-amino-1-propoxypentan-2-one (PubChem CID 116553325) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-amino-1-propoxypentan-2-one.

Molecular Properties

Compound Name5-amino-1-propoxypentan-2-one
PubChem CID116553325
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-amino-1-propoxypentan-2-one
SMILESCCCOCC(=O)CCCN
InChIInChI=1S/C8H17NO2/c1-2-6-11-7-8(10)4-3-5-9/h2-7,9H2,1H3
InChIKeyHJZZCYDSJNHISN-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Aminopentoxy)propan-2-one
CID 82352871
1-Amino-5-ethoxynonan-4-one
CID 87592166
5-Amino-1-(2-methoxyethoxy)pentan-2-one
CID 118181956
7-Amino-3-methoxyheptan-2-one
CID 123659207
5-Amino-3-[(2-methylpropan-2-yl)oxy]pentan-2-one
CID 132149300
1-[3-[5-(Methylsulfanylamino)pentoxy]propoxy]butan-2-one
CID 135174866
1-[2-[2-(5-Aminopentoxy)ethoxy]ethoxy]propan-2-one
CID 135220161
Ethyl 5-amino-2-oxopentanoate
CID 140983644
Hexyl 5-amino-2-oxopentanoate
CID 140983648
Propyl 5-amino-2-oxopentanoate;hydrochloride
CID 140983653
Propyl 5-amino-2-oxopentanoate
CID 140983654
Pentyl 5-amino-2-oxopentanoate
CID 141463869

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propoxypentan-2-one?
The IUPAC name of 5-amino-1-propoxypentan-2-one (CID 116553325) is 5-amino-1-propoxypentan-2-one.
What is the SMILES notation for 5-amino-1-propoxypentan-2-one?
The canonical SMILES for 5-amino-1-propoxypentan-2-one is CCCOCC(=O)CCCN.
What is the InChIKey of 5-amino-1-propoxypentan-2-one?
The InChIKey is HJZZCYDSJNHISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-6-11-7-8(10)4-3-5-9/h2-7,9H2,1H3.
What are the key properties of 5-amino-1-propoxypentan-2-one?
5-amino-1-propoxypentan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propoxypentan-2-one is sourced from PubChem (CID 116553325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).