2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol

C7H16INO2 — CID 155038056

IUPAC2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol
SMILESCC(CO)N(CI)C(C)CO
InChIInChI=1S/C7H16INO2/c1-6(3-10)9(5-8)7(2)4-11/h6-7,10-11H,3-5H2,1-2H3
InChIKeyXMYRLSHLUHLJIF-UHFFFAOYSA-N
MW273.11 g/mol
LogP0.44
Rot. Bonds5

About 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol

2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol (PubChem CID 155038056) has the molecular formula C7H16INO2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol
PubChem CID155038056
Molecular FormulaC7H16INO2
Molecular Weight273.11 g/mol
Exact Mass273.02
IUPAC Name2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol
SMILESCC(CO)N(CI)C(C)CO
InChIInChI=1S/C7H16INO2/c1-6(3-10)9(5-8)7(2)4-11/h6-7,10-11H,3-5H2,1-2H3
InChIKeyXMYRLSHLUHLJIF-UHFFFAOYSA-N
XLogP0.44
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[aminomethyl(propan-2-yl)amino]propan-1-ol
CID 177367266
2-[2-[butan-2-yl(propan-2-yl)amino]ethyl-(1-hydroxypropan-2-yl)amino]propan-1-ol
CID 22971826
2-[bis[1-(dimethylamino)propyl]amino]propan-1-ol
CID 118162058
2-[methyl(pentan-3-yl)amino]propan-1-ol
CID 104554038
hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium
CID 144890073
2-[(hydroxyamino)-methylamino]propan-1-ol
CID 123757066
2-[(3-bromo-2-methylpropyl)-methylamino]propan-1-ol
CID 104553861
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386
2-[tert-butyl(ethyl)amino]propan-1-ol
CID 131224515
1-hydroxypropan-2-yl(methyl)cyanamide
CID 104551890
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol?
The IUPAC name of 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol (CID 155038056) is 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol is CC(CO)N(CI)C(C)CO.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol?
The InChIKey is XMYRLSHLUHLJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16INO2/c1-6(3-10)9(5-8)7(2)4-11/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol?
2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol has a molecular weight of 273.11 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(iodomethyl)amino]propan-1-ol is sourced from PubChem (CID 155038056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).