N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine

C9H18I2N- — CID 163772573

IUPACN-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine
SMILESCC(C)(C)C(=N[I-]I)C(C)(C)C
InChIInChI=1S/C9H18I2N/c1-8(2,3)7(12-11-10)9(4,5)6/h1-6H3/q-1
InChIKeyMUQNMDDSLVBLQP-UHFFFAOYSA-N
MW394.06 g/mol
LogP0.87
Rot. Bonds1

About N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine

N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine (PubChem CID 163772573) has the molecular formula C9H18I2N- and a molecular weight of 394.06 g/mol. Its IUPAC name is N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine.

Molecular Properties

Compound NameN-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine
PubChem CID163772573
Molecular FormulaC9H18I2N-
Molecular Weight394.06 g/mol
Exact Mass393.95
IUPAC NameN-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine
SMILESCC(C)(C)C(=N[I-]I)C(C)(C)C
InChIInChI=1S/C9H18I2N/c1-8(2,3)7(12-11-10)9(4,5)6/h1-6H3/q-1
InChIKeyMUQNMDDSLVBLQP-UHFFFAOYSA-N
XLogP0.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4-Tetramethyl-3-pentanone Imine
CID 2755632
Lithium di-t-butylmethyleneamide
CID 101048200
N-fluoro-2,2,4,4-tetramethylpentan-3-imine
CID 23235944
2,2,4,4-Tetramethylpentan-3-ylideneazanium
CID 7019373
3-ethyl-N-iodo-3-methylpentan-2-imine
CID 142531838
N-(dimethyl-lambda3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane
CID 143953932
N-iodo-2,2,4,4-tetramethylpentan-3-imine
CID 154519805
3-ethyl-N-iodo-3-methylpentan-2-imine
CID 173878980
2,2,4,4-Tetramethylpentan-3-ylideneazanide
CID 101447339
CID 101770485
CID 101770485
N-(dimethyl-lambda3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine
CID 143953933

Frequently Asked Questions

What is the IUPAC name of N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine?
The IUPAC name of N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine (CID 163772573) is N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine.
What is the SMILES notation for N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine?
The canonical SMILES for N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine is CC(C)(C)C(=N[I-]I)C(C)(C)C.
What is the InChIKey of N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine?
The InChIKey is MUQNMDDSLVBLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18I2N/c1-8(2,3)7(12-11-10)9(4,5)6/h1-6H3/q-1.
What are the key properties of N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine?
N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine has a molecular weight of 394.06 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine is sourced from PubChem (CID 163772573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).