1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol

C11H25NO3 — CID 82714833

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol
SMILESCC(C)CONCC(O)COC(C)(C)C
InChIInChI=1S/C11H25NO3/c1-9(2)7-15-12-6-10(13)8-14-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyOBEZJTFPZDSGJV-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.34
Rot. Bonds7

About 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol (PubChem CID 82714833) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol
PubChem CID82714833
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol
SMILESCC(C)CONCC(O)COC(C)(C)C
InChIInChI=1S/C11H25NO3/c1-9(2)7-15-12-6-10(13)8-14-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyOBEZJTFPZDSGJV-UHFFFAOYSA-N
XLogP1.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722599
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 106990337
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 103600467
1-(3,4-dichlorophenoxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 82715506
ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
CID 103261561
1-(4-methoxybutan-2-ylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 64603432
2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-2-methylpropanamide
CID 61221150
2,2-diethoxy-N-(2-methylpropoxy)ethanamine
CID 82714948
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol (CID 82714833) is 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol is CC(C)CONCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol?
The InChIKey is OBEZJTFPZDSGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-9(2)7-15-12-6-10(13)8-14-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol is sourced from PubChem (CID 82714833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).