N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium

C12H19NSY — CID 142822248

IUPACN-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium
SMILESCCCN(S)Cc1ccc(C)cc1C.[Y]
InChIInChI=1S/C12H19NS.Y/c1-4-7-13(14)9-12-6-5-10(2)8-11(12)3;/h5-6,8,14H,4,7,9H2,1-3H3;
InChIKeyNZIPRDLISOQNIH-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.36
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium

N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium (PubChem CID 142822248) has the molecular formula C12H19NSY and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium
PubChem CID142822248
Molecular FormulaC12H19NSY
Molecular Weight298.26 g/mol
Exact Mass298.03
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium
SMILESCCCN(S)Cc1ccc(C)cc1C.[Y]
InChIInChI=1S/C12H19NS.Y/c1-4-7-13(14)9-12-6-5-10(2)8-11(12)3;/h5-6,8,14H,4,7,9H2,1-3H3;
InChIKeyNZIPRDLISOQNIH-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 143347602
2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid
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amino-[(2,4-dimethylphenyl)methyl]carbamic acid
CID 149436785
4-(2,4-dimethylphenyl)-3-(dipropylamino)butanoic acid
CID 82352300
5-[(2,4-dimethylphenyl)methyl-methylamino]pentanoic acid
CID 115219079
ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
CID 115257415
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
tributyl-[(2,4-dimethylphenyl)methyl]phosphanium chloride
CID 3056479
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
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N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium (CID 142822248) is N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium is CCCN(S)Cc1ccc(C)cc1C.[Y].
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium?
The InChIKey is NZIPRDLISOQNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS.Y/c1-4-7-13(14)9-12-6-5-10(2)8-11(12)3;/h5-6,8,14H,4,7,9H2,1-3H3;.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium?
N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium has a molecular weight of 298.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N-propylthiohydroxylamine;yttrium is sourced from PubChem (CID 142822248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).