1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol

C11H25NO4 — CID 106990337

IUPAC1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNOCC(C)C
InChIInChI=1S/C11H25NO4/c1-9(2)6-16-12-5-11(13)8-15-10(3)7-14-4/h9-13H,5-8H2,1-4H3
InChIKeyZNTKHGFSOBWNIN-UHFFFAOYSA-N
MW235.32 g/mol
LogP0.58
Rot. Bonds10

About 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol

1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol (PubChem CID 106990337) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
PubChem CID106990337
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Name1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
SMILESCOCC(C)OCC(O)CNOCC(C)C
InChIInChI=1S/C11H25NO4/c1-9(2)6-16-12-5-11(13)8-15-10(3)7-14-4/h9-13H,5-8H2,1-4H3
InChIKeyZNTKHGFSOBWNIN-UHFFFAOYSA-N
XLogP0.58
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 50.58
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-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol
CID 82714833
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989011
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
CID 106991512
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
CID 106990049

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol (CID 106990337) is 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol is COCC(C)OCC(O)CNOCC(C)C.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol?
The InChIKey is ZNTKHGFSOBWNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4/c1-9(2)6-16-12-5-11(13)8-15-10(3)7-14-4/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol?
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol has a molecular weight of 235.32 g/mol, XLogP of 0.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol is sourced from PubChem (CID 106990337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).