N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane

C13H30IN — CID 143953932

IUPACN-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane
SMILESCC.CI(C)N=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24IN.C2H6/c1-10(2,3)9(11(4,5)6)13-12(7)8;1-2/h1-8H3;1-2H3
InChIKeyPGBKJCZKFCDMOS-UHFFFAOYSA-N
MW327.29 g/mol
LogP5.23
Rot. Bonds1

About N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane

N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane (PubChem CID 143953932) has the molecular formula C13H30IN and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane.

Molecular Properties

Compound NameN-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane
PubChem CID143953932
Molecular FormulaC13H30IN
Molecular Weight327.29 g/mol
Exact Mass327.14
IUPAC NameN-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane
SMILESCC.CI(C)N=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H24IN.C2H6/c1-10(2,3)9(11(4,5)6)13-12(7)8;1-2/h1-8H3;1-2H3
InChIKeyPGBKJCZKFCDMOS-UHFFFAOYSA-N
XLogP5.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.29
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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
2-Iodo-2,4,4-trimethylpentan-3-imine
CID 88946567
3-ethyl-N-iodo-3-methylpentan-2-imine
CID 142531838
N-iodo-2,2,4,4-tetramethylpentan-3-imine
CID 154519805
N-iodoiodanuidyl-2,2,4,4-tetramethylpentan-3-imine
CID 163772573
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-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane?
The IUPAC name of N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane (CID 143953932) is N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane.
What is the SMILES notation for N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane?
The canonical SMILES for N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane is CC.CI(C)N=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane?
The InChIKey is PGBKJCZKFCDMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24IN.C2H6/c1-10(2,3)9(11(4,5)6)13-12(7)8;1-2/h1-8H3;1-2H3.
What are the key properties of N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane?
N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane has a molecular weight of 327.29 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethyl-λ3-iodanyl)-2,2,4,4-tetramethylpentan-3-imine;ethane is sourced from PubChem (CID 143953932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).