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

C5H12INO — CID 88639475

IUPAC1-(iodoamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNI
InChIInChI=1S/C5H12INO/c1-4(2)5(8)3-7-6/h4-5,7-8H,3H2,1-2H3
InChIKeyXLIQWRLUOUETSU-UHFFFAOYSA-N
MW229.06 g/mol
LogP0.94
Rot. Bonds3

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

1-(iodoamino)-3-methylbutan-2-ol (PubChem CID 88639475) has the molecular formula C5H12INO and a molecular weight of 229.06 g/mol. Its IUPAC name is 1-(iodoamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(iodoamino)-3-methylbutan-2-ol
PubChem CID88639475
Molecular FormulaC5H12INO
Molecular Weight229.06 g/mol
Exact Mass229.00
IUPAC Name1-(iodoamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNI
InChIInChI=1S/C5H12INO/c1-4(2)5(8)3-7-6/h4-5,7-8H,3H2,1-2H3
InChIKeyXLIQWRLUOUETSU-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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Related Compounds

3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488
1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
CID 115720483
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
N-(2-hydroxy-3-methylbutyl)methanesulfinamide
CID 127006167
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
1-(2-iodoanilino)-3-methylbutan-2-ol
CID 126975335
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
1-(cyclopentylmethylamino)-3-methylbutan-2-ol
CID 115907214
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
N-iodomethanamine;propan-2-ol
CID 175366064
CID 22958281
CID 22958281

Frequently Asked Questions

What is the IUPAC name of 1-(iodoamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(iodoamino)-3-methylbutan-2-ol (CID 88639475) is 1-(iodoamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(iodoamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(iodoamino)-3-methylbutan-2-ol is CC(C)C(O)CNI.
What is the InChIKey of 1-(iodoamino)-3-methylbutan-2-ol?
The InChIKey is XLIQWRLUOUETSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12INO/c1-4(2)5(8)3-7-6/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 1-(iodoamino)-3-methylbutan-2-ol?
1-(iodoamino)-3-methylbutan-2-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 1-(iodoamino)-3-methylbutan-2-ol is sourced from PubChem (CID 88639475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).