2-(iodoamino)-3-methylbutan-1-ol

C5H12INO — CID 88638908

IUPAC2-(iodoamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NI
InChIInChI=1S/C5H12INO/c1-4(2)5(3-8)7-6/h4-5,7-8H,3H2,1-2H3
InChIKeyGSWVLYGZSZWQCZ-UHFFFAOYSA-N
MW229.06 g/mol
LogP0.94
Rot. Bonds3

About 2-(iodoamino)-3-methylbutan-1-ol

2-(iodoamino)-3-methylbutan-1-ol (PubChem CID 88638908) has the molecular formula C5H12INO and a molecular weight of 229.06 g/mol. Its IUPAC name is 2-(iodoamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(iodoamino)-3-methylbutan-1-ol
PubChem CID88638908
Molecular FormulaC5H12INO
Molecular Weight229.06 g/mol
Exact Mass229.00
IUPAC Name2-(iodoamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NI
InChIInChI=1S/C5H12INO/c1-4(2)5(3-8)7-6/h4-5,7-8H,3H2,1-2H3
InChIKeyGSWVLYGZSZWQCZ-UHFFFAOYSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(iodoamino)-3-methylbutan-1-ol (CID 88638908) is 2-(iodoamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(iodoamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(iodoamino)-3-methylbutan-1-ol is CC(C)C(CO)NI.
What is the InChIKey of 2-(iodoamino)-3-methylbutan-1-ol?
The InChIKey is GSWVLYGZSZWQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12INO/c1-4(2)5(3-8)7-6/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 2-(iodoamino)-3-methylbutan-1-ol?
2-(iodoamino)-3-methylbutan-1-ol has a molecular weight of 229.06 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)-3-methylbutan-1-ol is sourced from PubChem (CID 88638908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).