7-iodo-2,3,3,7-tetramethyloctan-4-imine

C12H24IN — CID 130224247

IUPAC7-iodo-2,3,3,7-tetramethyloctan-4-imine
SMILES[H]/N=C(\CCC(C)(C)I)C(C)(C)C(C)C
InChIInChI=1S/C12H24IN/c1-9(2)12(5,6)10(14)7-8-11(3,4)13/h9,14H,7-8H2,1-6H3/b14-10+
InChIKeyGKJXVSNUQGOICH-GXDHUFHOSA-N
MW309.24 g/mol
LogP4.68
Rot. Bonds5

About 7-iodo-2,3,3,7-tetramethyloctan-4-imine

7-iodo-2,3,3,7-tetramethyloctan-4-imine (PubChem CID 130224247) has the molecular formula C12H24IN and a molecular weight of 309.24 g/mol. Its IUPAC name is 7-iodo-2,3,3,7-tetramethyloctan-4-imine.

Molecular Properties

Compound Name7-iodo-2,3,3,7-tetramethyloctan-4-imine
PubChem CID130224247
Molecular FormulaC12H24IN
Molecular Weight309.24 g/mol
Exact Mass309.10
IUPAC Name7-iodo-2,3,3,7-tetramethyloctan-4-imine
SMILES[H]/N=C(\CCC(C)(C)I)C(C)(C)C(C)C
InChIInChI=1S/C12H24IN/c1-9(2)12(5,6)10(14)7-8-11(3,4)13/h9,14H,7-8H2,1-6H3/b14-10+
InChIKeyGKJXVSNUQGOICH-GXDHUFHOSA-N
XLogP4.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
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

2,3,3-trimethyloct-7-en-4-imine
CID 138580985
2,2,6,6-tetramethylheptan-3-imine
CID 134551035
methyl 2-imino-3,3,4-trimethylpentanoate
CID 11745081
1,1,1-trifluoro-4-iodo-4-methylpentane
CID 162614405
2,2-difluoropentan-3-imine
CID 123948481
5-hydroxy-5-methylhexanimidamide
CID 159996634
6-imino-3,3,7-trimethyloctane-1,5-diamine
CID 154999303
1-amino-4,4-dimethylpentan-1-ol
CID 88636806
tert-butyl (4S)-4-amino-2-iminopentanoate
CID 174504487
4,4-difluoropentanimidamide
CID 84731110
3,3,4-trimethylpent-1-en-2-ol
CID 89381849
N'-(3-imino-2-methylhexan-2-yl)methanediimine;hydrochloride
CID 175258009

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2,3,3,7-tetramethyloctan-4-imine?
The IUPAC name of 7-iodo-2,3,3,7-tetramethyloctan-4-imine (CID 130224247) is 7-iodo-2,3,3,7-tetramethyloctan-4-imine.
What is the SMILES notation for 7-iodo-2,3,3,7-tetramethyloctan-4-imine?
The canonical SMILES for 7-iodo-2,3,3,7-tetramethyloctan-4-imine is [H]/N=C(\CCC(C)(C)I)C(C)(C)C(C)C.
What is the InChIKey of 7-iodo-2,3,3,7-tetramethyloctan-4-imine?
The InChIKey is GKJXVSNUQGOICH-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H24IN/c1-9(2)12(5,6)10(14)7-8-11(3,4)13/h9,14H,7-8H2,1-6H3/b14-10+.
What are the key properties of 7-iodo-2,3,3,7-tetramethyloctan-4-imine?
7-iodo-2,3,3,7-tetramethyloctan-4-imine has a molecular weight of 309.24 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2,3,3,7-tetramethyloctan-4-imine is sourced from PubChem (CID 130224247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).