[(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane

C8H16IN — CID 163747294

IUPAC[(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane
SMILESC/C=C(/CCC)C/I=N/C
InChIInChI=1S/C8H16IN/c1-4-6-8(5-2)7-9-10-3/h5H,4,6-7H2,1-3H3/b8-5-
InChIKeyLMYMOEFEVAZJLJ-YVMONPNESA-N
MW253.13 g/mol
LogP3.52
Rot. Bonds4

About [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane

[(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane (PubChem CID 163747294) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane.

Molecular Properties

Compound Name[(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane
PubChem CID163747294
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name[(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane
SMILESC/C=C(/CCC)C/I=N/C
InChIInChI=1S/C8H16IN/c1-4-6-8(5-2)7-9-10-3/h5H,4,6-7H2,1-3H3/b8-5-
InChIKeyLMYMOEFEVAZJLJ-YVMONPNESA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium
CID 163747293
(Z)-5-ethylidene-3-methyloct-2-ene
CID 143683733
(4Z)-4-ethylidenehept-1-ene
CID 12841273
(Z)-but-2-enedioic acid;4-ethylideneheptane
CID 162337305
4-ethylidene-2-methylheptan-2-amine
CID 123879864
N-oxobutanamide
CID 87293137
5-propyloct-4-enoxysilane
CID 154118310
6-ethylidenehexadecane
CID 169207706
hex-2-ene-3-thiol
CID 173099237
(2Z,5Z)-5-propylocta-2,5-diene
CID 142206656
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
N-pent-1-en-2-ylprop-2-en-1-imine
CID 142986997

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane?
The IUPAC name of [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane (CID 163747294) is [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane.
What is the SMILES notation for [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane?
The canonical SMILES for [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane is C/C=C(/CCC)C/I=N/C.
What is the InChIKey of [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane?
The InChIKey is LMYMOEFEVAZJLJ-YVMONPNESA-N. The full InChI is InChI=1S/C8H16IN/c1-4-6-8(5-2)7-9-10-3/h5H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane?
[(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane has a molecular weight of 253.13 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-ethylidenepentyl]-methylimino-λ3-iodane is sourced from PubChem (CID 163747294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).