[[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium

C8H17IN+ — CID 163747293

IUPAC[[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium
SMILESC/C=C(/CCC)C/I=[NH+]/C
InChIInChI=1S/C8H16IN/c1-4-6-8(5-2)7-9-10-3/h5H,4,6-7H2,1-3H3/p+1/b8-5-
InChIKeyLMYMOEFEVAZJLJ-YVMONPNESA-O
MW254.13 g/mol
LogP1.60
Rot. Bonds4

About [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium

[[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium (PubChem CID 163747293) has the molecular formula C8H17IN+ and a molecular weight of 254.13 g/mol. Its IUPAC name is [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium.

Molecular Properties

Compound Name[[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium
PubChem CID163747293
Molecular FormulaC8H17IN+
Molecular Weight254.13 g/mol
Exact Mass254.04
IUPAC Name[[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium
SMILESC/C=C(/CCC)C/I=[NH+]/C
InChIInChI=1S/C8H16IN/c1-4-6-8(5-2)7-9-10-3/h5H,4,6-7H2,1-3H3/p+1/b8-5-
InChIKeyLMYMOEFEVAZJLJ-YVMONPNESA-O
XLogP1.60
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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]-methylimino-λ3-iodane
CID 163747294
(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
6-ethylidenehexadecane
CID 169207706
hex-2-ene-3-thiol
CID 173099237
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
(2Z,5Z)-5-propylocta-2,5-diene
CID 142206656
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973

Frequently Asked Questions

What is the IUPAC name of [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium?
The IUPAC name of [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium (CID 163747293) is [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium.
What is the SMILES notation for [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium?
The canonical SMILES for [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium is C/C=C(/CCC)C/I=[NH+]/C.
What is the InChIKey of [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium?
The InChIKey is LMYMOEFEVAZJLJ-YVMONPNESA-O. The full InChI is InChI=1S/C8H16IN/c1-4-6-8(5-2)7-9-10-3/h5H,4,6-7H2,1-3H3/p+1/b8-5-.
What are the key properties of [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium?
[[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium has a molecular weight of 254.13 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2Z)-2-ethylidenepentyl]-λ3-iodanylidene]-methylazanium is sourced from PubChem (CID 163747293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).