1-aminooxy-3-(propan-2-ylamino)propan-2-ol

C6H16N2O2 — CID 13273113

IUPAC1-aminooxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CON
InChIInChI=1S/C6H16N2O2/c1-5(2)8-3-6(9)4-10-7/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVYIKFYBGMCIUGY-UHFFFAOYSA-N
MW148.21 g/mol
LogP-0.76
Rot. Bonds5

About 1-aminooxy-3-(propan-2-ylamino)propan-2-ol

1-aminooxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 13273113) has the molecular formula C6H16N2O2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-aminooxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-aminooxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID13273113
Molecular FormulaC6H16N2O2
Molecular Weight148.21 g/mol
Exact Mass148.12
IUPAC Name1-aminooxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CON
InChIInChI=1S/C6H16N2O2/c1-5(2)8-3-6(9)4-10-7/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVYIKFYBGMCIUGY-UHFFFAOYSA-N
XLogP-0.76
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Isopropylamino-1,2-propanediol
CID 110857
3-Tert-butylamino-1,2-propanediol
CID 90831
(S)-3-(tert-Butylamino)propane-1,2-diol
CID 2733671
1-Aminooxy-3-methylamino-propan-2-ol
CID 15153703
1-Aminooxy-3-prop-2-ynylamino-propan-2-ol
CID 21653045
2-Propanol, 1-butoxy-3-((1-methylethyl)amino)-
CID 3067037
3-(Ethylamino)propane-1,2-diol
CID 89209
GlyTouCan:G89581YY
CID 648844
1-(Tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride
CID 45262641
3-(Butylamino)propane-1,2-diol
CID 108432
(2R)-3-(tert-butylamino)propane-1,2-diol
CID 6454303
3-Isopropylamino-1,2-propanediol, (+)-
CID 7019746

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-aminooxy-3-(propan-2-ylamino)propan-2-ol (CID 13273113) is 1-aminooxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-aminooxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-aminooxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CON.
What is the InChIKey of 1-aminooxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is VYIKFYBGMCIUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2/c1-5(2)8-3-6(9)4-10-7/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-aminooxy-3-(propan-2-ylamino)propan-2-ol?
1-aminooxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 148.21 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 13273113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).