N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine

C19H33N2O+ — CID 136913036

IUPACN-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
SMILESCCCCCCCCCCCCC(=NO)c1cc[n+](C)cc1
InChIInChI=1S/C19H32N2O/c1-3-4-5-6-7-8-9-10-11-12-13-19(20-22)18-14-16-21(2)17-15-18/h14-17H,3-13H2,1-2H3/p+1
InChIKeyPZLOPIDEULGWDB-UHFFFAOYSA-O
MW305.49 g/mol
LogP5.00
Rot. Bonds12

About N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine

N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine (PubChem CID 136913036) has the molecular formula C19H33N2O+ and a molecular weight of 305.49 g/mol. Its IUPAC name is N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
PubChem CID136913036
Molecular FormulaC19H33N2O+
Molecular Weight305.49 g/mol
Exact Mass305.26
IUPAC NameN-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
SMILESCCCCCCCCCCCCC(=NO)c1cc[n+](C)cc1
InChIInChI=1S/C19H32N2O/c1-3-4-5-6-7-8-9-10-11-12-13-19(20-22)18-14-16-21(2)17-15-18/h14-17H,3-13H2,1-2H3/p+1
InChIKeyPZLOPIDEULGWDB-UHFFFAOYSA-O
XLogP5.00
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
CID 5362368
N-[1,5-bis(4-heptoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
CID 3094830
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
CID 45126946
2-amino-2-[2-[4-[(Z)-C-heptyl-N-hydroxycarbonimidoyl]phenyl]ethyl]propane-1,3-diol
CID 101073661
N-(1-pyridin-4-ylpentylidene)hydroxylamine
CID 154164009
(NE)-N-[1-(4-methylphenyl)butylidene]hydroxylamine
CID 12707912
N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
CID 71832094

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine?
The IUPAC name of N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine (CID 136913036) is N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine.
What is the SMILES notation for N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine?
The canonical SMILES for N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine is CCCCCCCCCCCCC(=NO)c1cc[n+](C)cc1.
What is the InChIKey of N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine?
The InChIKey is PZLOPIDEULGWDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N2O/c1-3-4-5-6-7-8-9-10-11-12-13-19(20-22)18-14-16-21(2)17-15-18/h14-17H,3-13H2,1-2H3/p+1.
What are the key properties of N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine?
N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine has a molecular weight of 305.49 g/mol, XLogP of 5.00, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine is sourced from PubChem (CID 136913036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).