acetic acid;1-(dipropoxyamino)oxypropane

C11H25NO5 — CID 173174046

IUPACacetic acid;1-(dipropoxyamino)oxypropane
SMILESCC(=O)O.CCCON(OCCC)OCCC
InChIInChI=1S/C9H21NO3.C2H4O2/c1-4-7-11-10(12-8-5-2)13-9-6-3;1-2(3)4/h4-9H2,1-3H3;1H3,(H,3,4)
InChIKeyGWANWGMKGJFYNQ-UHFFFAOYSA-N
MW251.32 g/mol
LogP2.40
Rot. Bonds9

About acetic acid;1-(dipropoxyamino)oxypropane

acetic acid;1-(dipropoxyamino)oxypropane (PubChem CID 173174046) has the molecular formula C11H25NO5 and a molecular weight of 251.32 g/mol. Its IUPAC name is acetic acid;1-(dipropoxyamino)oxypropane.

Molecular Properties

Compound Nameacetic acid;1-(dipropoxyamino)oxypropane
PubChem CID173174046
Molecular FormulaC11H25NO5
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Nameacetic acid;1-(dipropoxyamino)oxypropane
SMILESCC(=O)O.CCCON(OCCC)OCCC
InChIInChI=1S/C9H21NO3.C2H4O2/c1-4-7-11-10(12-8-5-2)13-9-6-3;1-2(3)4/h4-9H2,1-3H3;1H3,(H,3,4)
InChIKeyGWANWGMKGJFYNQ-UHFFFAOYSA-N
XLogP2.40
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(propoxy)amino]acetic acid
CID 141325136
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
acetic acid;1-(propoxyamino)oxypropane
CID 173174006
acetic acid;pentylmercury
CID 88743685
acetic acid;ruthenium
CID 175502908
acetic acid;1-butoxybutane
CID 22256220
acetic acid;azane;propane
CID 173127482
1,3-dimethyl-1-propoxyurea
CID 121226994
acetic acid;methane;propoxycarbonyl acetate
CID 160736833
acetic acid;dibutyl oxalate
CID 175057200
2-[bis(2-hydroxyethoxy)amino]oxyethanol;propanedioic acid
CID 87739417
acetic acid;butyl acetate
CID 158450873

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(dipropoxyamino)oxypropane?
The IUPAC name of acetic acid;1-(dipropoxyamino)oxypropane (CID 173174046) is acetic acid;1-(dipropoxyamino)oxypropane.
What is the SMILES notation for acetic acid;1-(dipropoxyamino)oxypropane?
The canonical SMILES for acetic acid;1-(dipropoxyamino)oxypropane is CC(=O)O.CCCON(OCCC)OCCC.
What is the InChIKey of acetic acid;1-(dipropoxyamino)oxypropane?
The InChIKey is GWANWGMKGJFYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3.C2H4O2/c1-4-7-11-10(12-8-5-2)13-9-6-3;1-2(3)4/h4-9H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(dipropoxyamino)oxypropane?
acetic acid;1-(dipropoxyamino)oxypropane has a molecular weight of 251.32 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(dipropoxyamino)oxypropane is sourced from PubChem (CID 173174046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).