1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol

C8H19NO3 — CID 60702508

IUPAC1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
SMILESCONCC(O)COCC(C)C
InChIInChI=1S/C8H19NO3/c1-7(2)5-12-6-8(10)4-9-11-3/h7-10H,4-6H2,1-3H3
InChIKeyFPXPMYCFWZWECC-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.17
Rot. Bonds7

About 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol

1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 60702508) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID60702508
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
SMILESCONCC(O)COCC(C)C
InChIInChI=1S/C8H19NO3/c1-7(2)5-12-6-8(10)4-9-11-3/h7-10H,4-6H2,1-3H3
InChIKeyFPXPMYCFWZWECC-UHFFFAOYSA-N
XLogP0.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 102905545
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212542
1-(2-methylpropoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79358740
1-(2-methylbutan-2-ylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60903847
1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 55767176
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455

Frequently Asked Questions

What is the IUPAC name of 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol (CID 60702508) is 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol is CONCC(O)COCC(C)C.
What is the InChIKey of 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is FPXPMYCFWZWECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-7(2)5-12-6-8(10)4-9-11-3/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol?
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 177.24 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 60702508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).