1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol

C7H16INO2 — CID 140547741

IUPAC1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol
SMILESCC(C)C(C)(N)OC(C)(O)I
InChIInChI=1S/C7H16INO2/c1-5(2)6(3,9)11-7(4,8)10/h5,10H,9H2,1-4H3
InChIKeySYGLHOKTRWJQLU-UHFFFAOYSA-N
MW273.11 g/mol
LogP1.43
Rot. Bonds3

About 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol

1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol (PubChem CID 140547741) has the molecular formula C7H16INO2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol.

Molecular Properties

Compound Name1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol
PubChem CID140547741
Molecular FormulaC7H16INO2
Molecular Weight273.11 g/mol
Exact Mass273.02
IUPAC Name1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol
SMILESCC(C)C(C)(N)OC(C)(O)I
InChIInChI=1S/C7H16INO2/c1-5(2)6(3,9)11-7(4,8)10/h5,10H,9H2,1-4H3
InChIKeySYGLHOKTRWJQLU-UHFFFAOYSA-N
XLogP1.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(2-amino-3-methylbutan-2-yl) acetate
CID 140983582
alumane;1-amino-1-iodoethanol
CID 173452608
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,3-dimethylbutan-2-ol;titanium
CID 151633599
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate
CID 153181636
alumane;2-aminopropan-2-ol
CID 175409057
2-aminopropan-2-ol;copper
CID 87854275
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
4-amino-2,3,4-trimethylpentan-2-ol
CID 146264907
amino-(propan-2-ylamino)methanediol
CID 163473604
(3R)-2-amino-3,4,4-trimethylpentan-2-ol
CID 139473324

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol?
The IUPAC name of 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol (CID 140547741) is 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol.
What is the SMILES notation for 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol?
The canonical SMILES for 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol is CC(C)C(C)(N)OC(C)(O)I.
What is the InChIKey of 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol?
The InChIKey is SYGLHOKTRWJQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16INO2/c1-5(2)6(3,9)11-7(4,8)10/h5,10H,9H2,1-4H3.
What are the key properties of 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol?
1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol has a molecular weight of 273.11 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutan-2-yl)oxy-1-iodoethanol is sourced from PubChem (CID 140547741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).