6-[iodo(methyl)amino]-3-methylhexan-2-one

C8H16INO — CID 163874917

IUPAC6-[iodo(methyl)amino]-3-methylhexan-2-one
SMILESCC(=O)C(C)CCCN(C)I
InChIInChI=1S/C8H16INO/c1-7(8(2)11)5-4-6-10(3)9/h7H,4-6H2,1-3H3
InChIKeyPOAYURXFEWGUJA-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.27
Rot. Bonds5

About 6-[iodo(methyl)amino]-3-methylhexan-2-one

6-[iodo(methyl)amino]-3-methylhexan-2-one (PubChem CID 163874917) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 6-[iodo(methyl)amino]-3-methylhexan-2-one.

Molecular Properties

Compound Name6-[iodo(methyl)amino]-3-methylhexan-2-one
PubChem CID163874917
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name6-[iodo(methyl)amino]-3-methylhexan-2-one
SMILESCC(=O)C(C)CCCN(C)I
InChIInChI=1S/C8H16INO/c1-7(8(2)11)5-4-6-10(3)9/h7H,4-6H2,1-3H3
InChIKeyPOAYURXFEWGUJA-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[iodo(methyl)amino]-3-methylhexan-2-one 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 6-[iodo(methyl)amino]-3-methylhexan-2-one?
The IUPAC name of 6-[iodo(methyl)amino]-3-methylhexan-2-one (CID 163874917) is 6-[iodo(methyl)amino]-3-methylhexan-2-one.
What is the SMILES notation for 6-[iodo(methyl)amino]-3-methylhexan-2-one?
The canonical SMILES for 6-[iodo(methyl)amino]-3-methylhexan-2-one is CC(=O)C(C)CCCN(C)I.
What is the InChIKey of 6-[iodo(methyl)amino]-3-methylhexan-2-one?
The InChIKey is POAYURXFEWGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-7(8(2)11)5-4-6-10(3)9/h7H,4-6H2,1-3H3.
What are the key properties of 6-[iodo(methyl)amino]-3-methylhexan-2-one?
6-[iodo(methyl)amino]-3-methylhexan-2-one has a molecular weight of 269.13 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[iodo(methyl)amino]-3-methylhexan-2-one is sourced from PubChem (CID 163874917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).