hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium

C4H13N2O2+ — CID 144890073

IUPAChydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium
SMILESCC(CO)N(C)[NH2+]O
InChIInChI=1S/C4H12N2O2/c1-4(3-7)6(2)5-8/h4-5,7-8H,3H2,1-2H3/p+1
InChIKeyBTQXOLVJCGOVLO-UHFFFAOYSA-O
MW121.16 g/mol
LogP-1.83
Rot. Bonds3

About hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium

hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium (PubChem CID 144890073) has the molecular formula C4H13N2O2+ and a molecular weight of 121.16 g/mol. Its IUPAC name is hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium.

Molecular Properties

Compound Namehydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium
PubChem CID144890073
Molecular FormulaC4H13N2O2+
Molecular Weight121.16 g/mol
Exact Mass121.10
IUPAC Namehydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium
SMILESCC(CO)N(C)[NH2+]O
InChIInChI=1S/C4H12N2O2/c1-4(3-7)6(2)5-8/h4-5,7-8H,3H2,1-2H3/p+1
InChIKeyBTQXOLVJCGOVLO-UHFFFAOYSA-O
XLogP-1.83
TPSA60.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386
2-[methyl(pentan-3-yl)amino]propan-1-ol
CID 104554038
2-[(hydroxyamino)-methylamino]propan-1-ol
CID 123757066
1-hydroxypropan-2-yl(methyl)cyanamide
CID 104551890
N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
CID 87281445
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
CID 127001380
2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
CID 118162058
2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol
CID 155038056
2-[methyl(2-methylprop-2-enyl)amino]propan-1-ol
CID 115772235
2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115773280

Frequently Asked Questions

What is the IUPAC name of hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium?
The IUPAC name of hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium (CID 144890073) is hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium.
What is the SMILES notation for hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium?
The canonical SMILES for hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium is CC(CO)N(C)[NH2+]O.
What is the InChIKey of hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium?
The InChIKey is BTQXOLVJCGOVLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H12N2O2/c1-4(3-7)6(2)5-8/h4-5,7-8H,3H2,1-2H3/p+1.
What are the key properties of hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium?
hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium has a molecular weight of 121.16 g/mol, XLogP of -1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium is sourced from PubChem (CID 144890073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).