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

C9H18IN — CID 154519805

IUPACN-iodo-2,2,4,4-tetramethylpentan-3-imine
SMILESCC(C)(C)C(=NI)C(C)(C)C
InChIInChI=1S/C9H18IN/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3
InChIKeyZIKBFZZCVVQGOL-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.87
Rot. Bonds

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

N-iodo-2,2,4,4-tetramethylpentan-3-imine (PubChem CID 154519805) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is N-iodo-2,2,4,4-tetramethylpentan-3-imine.

Molecular Properties

Compound NameN-iodo-2,2,4,4-tetramethylpentan-3-imine
PubChem CID154519805
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC NameN-iodo-2,2,4,4-tetramethylpentan-3-imine
SMILESCC(C)(C)C(=NI)C(C)(C)C
InChIInChI=1S/C9H18IN/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3
InChIKeyZIKBFZZCVVQGOL-UHFFFAOYSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.87
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
3-Diazo-2,2,4,4-tetramethylpentane
CID 638177
(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine
CID 59873286
Lithium di-t-butylmethyleneamide
CID 101048200
(2,2,4,4-Tetramethylpentan-3-ylideneamino) thiohypochlorite
CID 86215016
(E)-N-[(Z)-4,4-dimethylpentan-2-ylideneamino]-4,4-dimethylpentan-2-imine
CID 134897223
N-fluoro-2,2,4,4-tetramethylpentan-3-imine
CID 23235944
2,2,4,4-Tetramethylpentan-3-ylideneazanium
CID 7019373
N-tert-butyl-2,2,4,4-tetramethylpentan-3-imine
CID 12682622
N,2,2,4,4-pentamethylpentan-3-imine
CID 20684885
2-Methylpropane;2,2,5,5-tetramethylhexan-3-ylideneazanide;yttrium
CID 58488616
5,5-Dimethylhexan-2-ylideneazanide;yttrium
CID 58687817

Frequently Asked Questions

What is the IUPAC name of N-iodo-2,2,4,4-tetramethylpentan-3-imine?
The IUPAC name of N-iodo-2,2,4,4-tetramethylpentan-3-imine (CID 154519805) is N-iodo-2,2,4,4-tetramethylpentan-3-imine.
What is the SMILES notation for N-iodo-2,2,4,4-tetramethylpentan-3-imine?
The canonical SMILES for N-iodo-2,2,4,4-tetramethylpentan-3-imine is CC(C)(C)C(=NI)C(C)(C)C.
What is the InChIKey of N-iodo-2,2,4,4-tetramethylpentan-3-imine?
The InChIKey is ZIKBFZZCVVQGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18IN/c1-8(2,3)7(11-10)9(4,5)6/h1-6H3.
What are the key properties of N-iodo-2,2,4,4-tetramethylpentan-3-imine?
N-iodo-2,2,4,4-tetramethylpentan-3-imine has a molecular weight of 267.15 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2,2,4,4-tetramethylpentan-3-imine is sourced from PubChem (CID 154519805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).