1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium

C17H23N2Y+ — CID 160724980

IUPAC1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium
SMILESCCC(CC(C)c1ccccn1)c1cccc[n+]1C.[Y]
InChIInChI=1S/C17H23N2.Y/c1-4-15(17-10-6-8-12-19(17)3)13-14(2)16-9-5-7-11-18-16;/h5-12,14-15H,4,13H2,1-3H3;/q+1;
InChIKeyHSWBDCSCGRDJHW-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.59
Rot. Bonds5

About 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium

1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium (PubChem CID 160724980) has the molecular formula C17H23N2Y+ and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium.

Molecular Properties

Compound Name1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium
PubChem CID160724980
Molecular FormulaC17H23N2Y+
Molecular Weight344.29 g/mol
Exact Mass344.09
IUPAC Name1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium
SMILESCCC(CC(C)c1ccccn1)c1cccc[n+]1C.[Y]
InChIInChI=1S/C17H23N2.Y/c1-4-15(17-10-6-8-12-19(17)3)13-14(2)16-9-5-7-11-18-16;/h5-12,14-15H,4,13H2,1-3H3;/q+1;
InChIKeyHSWBDCSCGRDJHW-UHFFFAOYSA-N
XLogP3.59
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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1-oxido-2-(1-pyridin-2-ylethyl)pyridin-1-ium
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2-pyridin-2-ylpropan-1-amine
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2-[(2R)-1-ethoxypropan-2-yl]pyridine
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2-(aminomethyl)-4-pyridin-2-ylpentan-1-ol
CID 83929964
4-propan-2-yl-1-[(2S)-2-pyridin-2-ylpropyl]pyridin-1-ium
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2-methyl-1-pyridin-2-ylbutan-1-ol
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2-[(2R)-pent-4-en-2-yl]pyridine
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2-pyridin-2-ylbutanenitrile
CID 12520509

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium?
The IUPAC name of 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium (CID 160724980) is 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium.
What is the SMILES notation for 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium?
The canonical SMILES for 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium is CCC(CC(C)c1ccccn1)c1cccc[n+]1C.[Y].
What is the InChIKey of 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium?
The InChIKey is HSWBDCSCGRDJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N2.Y/c1-4-15(17-10-6-8-12-19(17)3)13-14(2)16-9-5-7-11-18-16;/h5-12,14-15H,4,13H2,1-3H3;/q+1;.
What are the key properties of 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium?
1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium has a molecular weight of 344.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-pyridin-2-ylhexan-3-yl)pyridin-1-ium;yttrium is sourced from PubChem (CID 160724980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).