alumane;1-amino-1-iodoethanol

C2H9AlINO — CID 173452608

IUPACalumane;1-amino-1-iodoethanol
SMILESCC(N)(O)I.[AlH3]
InChIInChI=1S/C2H6INO.Al.3H/c1-2(3,4)5;;;;/h5H,4H2,1H3;;;;
InChIKeyMLOOVYPZXIUOQD-UHFFFAOYSA-N
MW216.99 g/mol
LogP-1.14
Rot. Bonds

About alumane;1-amino-1-iodoethanol

alumane;1-amino-1-iodoethanol (PubChem CID 173452608) has the molecular formula C2H9AlINO and a molecular weight of 216.99 g/mol. Its IUPAC name is alumane;1-amino-1-iodoethanol.

Molecular Properties

Compound Namealumane;1-amino-1-iodoethanol
PubChem CID173452608
Molecular FormulaC2H9AlINO
Molecular Weight216.99 g/mol
Exact Mass216.95
IUPAC Namealumane;1-amino-1-iodoethanol
SMILESCC(N)(O)I.[AlH3]
InChIInChI=1S/C2H6INO.Al.3H/c1-2(3,4)5;;;;/h5H,4H2,1H3;;;;
InChIKeyMLOOVYPZXIUOQD-UHFFFAOYSA-N
XLogP-1.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.99
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alumane;2-aminopropan-2-ol
CID 175409057
2-aminopropan-2-ol;copper
CID 87854275
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
1-amino-1-bromoethanol
CID 158110209
2-iodo-3-methylbutane-2,3-diamine
CID 163792555
1-amino-1-sulfanylethanol
CID 87381402
alumane;2-methylpropan-2-ol;hydrochloride
CID 174748525
(2S)-2-iodobutan-2-ol
CID 126611697
1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol
CID 140547741
2-aminobutan-2-ol;propane
CID 174346487
2-methylpropan-2-amine;trifluoroborane
CID 175302179
lithium 2-methylpropan-2-ol
CID 21120036

Frequently Asked Questions

What is the IUPAC name of alumane;1-amino-1-iodoethanol?
The IUPAC name of alumane;1-amino-1-iodoethanol (CID 173452608) is alumane;1-amino-1-iodoethanol.
What is the SMILES notation for alumane;1-amino-1-iodoethanol?
The canonical SMILES for alumane;1-amino-1-iodoethanol is CC(N)(O)I.[AlH3].
What is the InChIKey of alumane;1-amino-1-iodoethanol?
The InChIKey is MLOOVYPZXIUOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6INO.Al.3H/c1-2(3,4)5;;;;/h5H,4H2,1H3;;;;.
What are the key properties of alumane;1-amino-1-iodoethanol?
alumane;1-amino-1-iodoethanol has a molecular weight of 216.99 g/mol, XLogP of -1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1-amino-1-iodoethanol is sourced from PubChem (CID 173452608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).