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

C19H36N3O+ — CID 137240541

IUPACN-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine
SMILESCCCCCCCCCCCCCCn1cc[n+](C)c1C=NO
InChIInChI=1S/C19H35N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-17-16-21(2)19(22)18-20-23/h16-18H,3-15H2,1-2H3/p+1
InChIKeyPCQXEHODSVXCEW-UHFFFAOYSA-O
MW322.52 g/mol
LogP4.82
Rot. Bonds14

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

N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine (PubChem CID 137240541) has the molecular formula C19H36N3O+ and a molecular weight of 322.52 g/mol. Its IUPAC name is N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine
PubChem CID137240541
Molecular FormulaC19H36N3O+
Molecular Weight322.52 g/mol
Exact Mass322.29
IUPAC NameN-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine
SMILESCCCCCCCCCCCCCCn1cc[n+](C)c1C=NO
InChIInChI=1S/C19H35N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-17-16-21(2)19(22)18-20-23/h16-18H,3-15H2,1-2H3/p+1
InChIKeyPCQXEHODSVXCEW-UHFFFAOYSA-O
XLogP4.82
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.82
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hexadecyl-3-methylimidazol-3-ium-2-yl)methylidene]hydroxylamine bromide
CID 137240543
N-[(1-methyl-3-pentylimidazol-1-ium-2-yl)methylidene]hydroxylamine iodide
CID 144831504
(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
1-dodecyl-2,3-dimethylimidazol-3-ium bromide
CID 87228975
(NE)-N-[(1-benzyl-3-methylimidazol-3-ium-2-yl)methylidene]hydroxylamine
CID 135524592
2-heptadecyl-1-methyl-3-pentadecylimidazol-1-ium
CID 87807289
1-methyl-3-nonyl-2-undecylimidazol-1-ium
CID 87809117
2-hexadecyl-1-methyl-3-nonadecylimidazol-1-ium
CID 87806315
1-heptyl-3-methyl-2-octylimidazol-3-ium
CID 87810602

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine (CID 137240541) is N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine is CCCCCCCCCCCCCCn1cc[n+](C)c1C=NO.
What is the InChIKey of N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine?
The InChIKey is PCQXEHODSVXCEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H35N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-17-16-21(2)19(22)18-20-23/h16-18H,3-15H2,1-2H3/p+1.
What are the key properties of N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine?
N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine has a molecular weight of 322.52 g/mol, XLogP of 4.82, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-tetradecylimidazol-1-ium-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 137240541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).