1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol

C11H25NO3 — CID 103931685

IUPAC1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
SMILESCOCC(O)CNCCCOCC(C)C
InChIInChI=1S/C11H25NO3/c1-10(2)8-15-6-4-5-12-7-11(13)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyUEONIRUWDLOEIO-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.65
Rot. Bonds10

About 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol

1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol (PubChem CID 103931685) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
PubChem CID103931685
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol
SMILESCOCC(O)CNCCCOCC(C)C
InChIInChI=1S/C11H25NO3/c1-10(2)8-15-6-4-5-12-7-11(13)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyUEONIRUWDLOEIO-UHFFFAOYSA-N
XLogP0.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
CID 63930297

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol (CID 103931685) is 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol is COCC(O)CNCCCOCC(C)C.
What is the InChIKey of 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol?
The InChIKey is UEONIRUWDLOEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-10(2)8-15-6-4-5-12-7-11(13)9-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol?
1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 0.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(2-methylpropoxy)propylamino]propan-2-ol is sourced from PubChem (CID 103931685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).