4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol

C10H22INO — CID 135271229

IUPAC4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)NC(C)(C)I
InChIInChI=1S/C10H22INO/c1-8(2,7-9(3,4)13)12-10(5,6)11/h12-13H,7H2,1-6H3
InChIKeyGJGQWQCIEMTBBO-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.69
Rot. Bonds4

About 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol

4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol (PubChem CID 135271229) has the molecular formula C10H22INO and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol
PubChem CID135271229
Molecular FormulaC10H22INO
Molecular Weight299.20 g/mol
Exact Mass299.07
IUPAC Name4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)NC(C)(C)I
InChIInChI=1S/C10H22INO/c1-8(2,7-9(3,4)13)12-10(5,6)11/h12-13H,7H2,1-6H3
InChIKeyGJGQWQCIEMTBBO-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol (CID 135271229) is 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol is CC(C)(O)CC(C)(C)NC(C)(C)I.
What is the InChIKey of 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol?
The InChIKey is GJGQWQCIEMTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22INO/c1-8(2,7-9(3,4)13)12-10(5,6)11/h12-13H,7H2,1-6H3.
What are the key properties of 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol?
4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol has a molecular weight of 299.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodopropan-2-ylamino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 135271229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).