1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine

C13H32N2O3 — CID 159032271

IUPAC1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine
SMILESCCCCCCOCC(C)OCC(C)N.CON
InChIInChI=1S/C12H27NO2.CH5NO/c1-4-5-6-7-8-14-10-12(3)15-9-11(2)13;1-3-2/h11-12H,4-10,13H2,1-3H3;2H2,1H3
InChIKeyJVALOFLOWIUSFD-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.84
Rot. Bonds10

About 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine

1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine (PubChem CID 159032271) has the molecular formula C13H32N2O3 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine.

Molecular Properties

Compound Name1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine
PubChem CID159032271
Molecular FormulaC13H32N2O3
Molecular Weight264.41 g/mol
Exact Mass264.24
IUPAC Name1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine
SMILESCCCCCCOCC(C)OCC(C)N.CON
InChIInChI=1S/C12H27NO2.CH5NO/c1-4-5-6-7-8-14-10-12(3)15-9-11(2)13;1-3-2/h11-12H,4-10,13H2,1-3H3;2H2,1H3
InChIKeyJVALOFLOWIUSFD-UHFFFAOYSA-N
XLogP1.84
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-(2-hexoxypropoxy)hexane
CID 71353992
1-[4-[2-(2-aminopropoxy)propoxy]butoxy]propan-2-amine;azane;methane;yttrium
CID 159274573
2-methyl-1-(1-octoxypropan-2-yloxy)decane
CID 23399371
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
1-(2-propoxypropoxy)pentane
CID 22002926
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
1-octan-2-yloxypropan-2-amine
CID 43127432
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine?
The IUPAC name of 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine (CID 159032271) is 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine.
What is the SMILES notation for 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine?
The canonical SMILES for 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine is CCCCCCOCC(C)OCC(C)N.CON.
What is the InChIKey of 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine?
The InChIKey is JVALOFLOWIUSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2.CH5NO/c1-4-5-6-7-8-14-10-12(3)15-9-11(2)13;1-3-2/h11-12H,4-10,13H2,1-3H3;2H2,1H3.
What are the key properties of 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine?
1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine has a molecular weight of 264.41 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexoxypropan-2-yloxy)propan-2-amine;O-methylhydroxylamine is sourced from PubChem (CID 159032271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).