N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide

C10H18IN3O — CID 144831504

IUPACN-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide
SMILESCCCCCn1cc[n+](C)c1C=NO.[I-]
InChIInChI=1S/C10H17N3O.HI/c1-3-4-5-6-13-8-7-12(2)10(13)9-11-14;/h7-9H,3-6H2,1-2H3;1H
InChIKeyXLJJDFKVMMKPPI-UHFFFAOYSA-N
MW323.18 g/mol
LogP-1.69
Rot. Bonds5

About N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide

N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide (PubChem CID 144831504) has the molecular formula C10H18IN3O and a molecular weight of 323.18 g/mol. Its IUPAC name is N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide.

Molecular Properties

Compound NameN-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide
PubChem CID144831504
Molecular FormulaC10H18IN3O
Molecular Weight323.18 g/mol
Exact Mass323.05
IUPAC NameN-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide
SMILESCCCCCn1cc[n+](C)c1C=NO.[I-]
InChIInChI=1S/C10H17N3O.HI/c1-3-4-5-6-13-8-7-12(2)10(13)9-11-14;/h7-9H,3-6H2,1-2H3;1H
InChIKeyXLJJDFKVMMKPPI-UHFFFAOYSA-N
XLogP-1.69
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine
CID 137240541
N-[(1-hexadecyl-3-methylimidazol-3-ium-2-yl)methylidene]hydroxylamine bromide
CID 137240543
(NZ)-N-[[1-[6-[2-[(Z)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]hexyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine dibromide
CID 135678169
(NZ)-N-[(1-hex-5-ynyl-3-methylimidazol-3-ium-2-yl)methylidene]hydroxylamine chloride
CID 135770425
(NZ)-N-[[1-[(E)-4-[2-[(Z)-hydroxyiminomethyl]-3-methylimidazol-3-ium-1-yl]but-2-enyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
CID 135589978
(NE)-N-[[1-(ethoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
CID 135705450
(NE)-N-[(1-benzyl-3-methylimidazol-3-ium-2-yl)methylidene]hydroxylamine
CID 135524592
(NZ)-N-[[1-methyl-3-(3-methylpentan-2-yloxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
CID 135764780
1-methyl-3-pentyl-2-propylimidazol-1-ium
CID 87808273
(NZ)-N-[[1-methyl-3-[[(Z)-pent-2-enoxy]methyl]imidazol-1-ium-2-yl]methylidene]hydroxylamine chloride
CID 135612730
1-dodecyl-2,3-dimethylimidazol-3-ium bromide
CID 87228975
(NE)-N-[[1-(hex-1-yn-3-yloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 135705461

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide?
The IUPAC name of N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide (CID 144831504) is N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide.
What is the SMILES notation for N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide?
The canonical SMILES for N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide is CCCCCn1cc[n+](C)c1C=NO.[I-].
What is the InChIKey of N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide?
The InChIKey is XLJJDFKVMMKPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.HI/c1-3-4-5-6-13-8-7-12(2)10(13)9-11-14;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide?
N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide has a molecular weight of 323.18 g/mol, XLogP of -1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide is sourced from PubChem (CID 144831504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).