[(E)-heptylideneamino]-trimethylazanium iodide

C10H23IN2 — CID 54607159

IUPAC[(E)-heptylideneamino]-trimethylazanium iodide
SMILESCCCCCC/C=N/[N+](C)(C)C.[I-]
InChIInChI=1S/C10H23N2.HI/c1-5-6-7-8-9-10-11-12(2,3)4;/h10H,5-9H2,1-4H3;1H/q+1;/p-1/b11-10+;
InChIKeyJSZHVQVNSKNGJZ-ASTDGNLGSA-M
MW298.21 g/mol
LogP-0.35
Rot. Bonds6

About [(E)-heptylideneamino]-trimethylazanium iodide

[(E)-heptylideneamino]-trimethylazanium iodide (PubChem CID 54607159) has the molecular formula C10H23IN2 and a molecular weight of 298.21 g/mol. Its IUPAC name is [(E)-heptylideneamino]-trimethylazanium iodide.

Molecular Properties

Compound Name[(E)-heptylideneamino]-trimethylazanium iodide
PubChem CID54607159
Molecular FormulaC10H23IN2
Molecular Weight298.21 g/mol
Exact Mass298.09
IUPAC Name[(E)-heptylideneamino]-trimethylazanium iodide
SMILESCCCCCC/C=N/[N+](C)(C)C.[I-]
InChIInChI=1S/C10H23N2.HI/c1-5-6-7-8-9-10-11-12(2,3)4;/h10H,5-9H2,1-4H3;1H/q+1;/p-1/b11-10+;
InChIKeyJSZHVQVNSKNGJZ-ASTDGNLGSA-M
XLogP-0.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-octylidenehydroxylamine
CID 5385260
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-methyloctadecan-1-imine
CID 54409483
N-(dodecylideneamino)hydroxylamine
CID 91556209
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-tetradecyltridecan-1-imine
CID 175147598
N-hexyldecan-1-imine
CID 174719675
N-octylideneformamide
CID 57254317
N-dodecylideneformamide
CID 57101049
2,3-dihydroxypropyl-methyl-bis[2-[(E)-tetradecylideneamino]oxyethyl]azanium iodide
CID 169268639
octane;tetramethylazanium
CID 174525343

Frequently Asked Questions

What is the IUPAC name of [(E)-heptylideneamino]-trimethylazanium iodide?
The IUPAC name of [(E)-heptylideneamino]-trimethylazanium iodide (CID 54607159) is [(E)-heptylideneamino]-trimethylazanium iodide.
What is the SMILES notation for [(E)-heptylideneamino]-trimethylazanium iodide?
The canonical SMILES for [(E)-heptylideneamino]-trimethylazanium iodide is CCCCCC/C=N/[N+](C)(C)C.[I-].
What is the InChIKey of [(E)-heptylideneamino]-trimethylazanium iodide?
The InChIKey is JSZHVQVNSKNGJZ-ASTDGNLGSA-M. The full InChI is InChI=1S/C10H23N2.HI/c1-5-6-7-8-9-10-11-12(2,3)4;/h10H,5-9H2,1-4H3;1H/q+1;/p-1/b11-10+;.
What are the key properties of [(E)-heptylideneamino]-trimethylazanium iodide?
[(E)-heptylideneamino]-trimethylazanium iodide has a molecular weight of 298.21 g/mol, XLogP of -0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-heptylideneamino]-trimethylazanium iodide is sourced from PubChem (CID 54607159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).