N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)

C11H15NY13-2 — CID 58625893

IUPACN-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)
SMILES[CH2-]CN(C)c1[c-]cc(C)c(C)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H15N.13Y/c1-5-12(4)11-7-6-9(2)10(3)8-11;;;;;;;;;;;;;/h6,8H,1,5H2,2-4H3;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;
InChIKeyBKPDFQZHVXVBKU-UHFFFAOYSA-N
MW1317.03 g/mol
LogP2.34
Rot. Bonds2

About N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)

N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium) (PubChem CID 58625893) has the molecular formula C11H15NY13-2 and a molecular weight of 1317.03 g/mol. Its IUPAC name is N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium).

Molecular Properties

Compound NameN-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)
PubChem CID58625893
Molecular FormulaC11H15NY13-2
Molecular Weight1317.03 g/mol
Exact Mass1316.90
IUPAC NameN-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)
SMILES[CH2-]CN(C)c1[c-]cc(C)c(C)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H15N.13Y/c1-5-12(4)11-7-6-9(2)10(3)8-11;;;;;;;;;;;;;/h6,8H,1,5H2,2-4H3;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;
InChIKeyBKPDFQZHVXVBKU-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001317.03
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2,6-lutidine
CID 68311864
1-fluoro-4,5,6-trimethyl-2H-pyridine
CID 87450917
1-fluoro-2,4,6-trimethyl-2H-pyridine
CID 87450919
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
CID 141175474
3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine
CID 146669125
2-fluoro-1,4,6-trimethyl-2H-pyridine
CID 150620231
1-fluoro-4,6-dimethyl-2H-pyridine
CID 152148323
1-(difluoromethyl)-4,6-dimethyl-2H-pyridine
CID 153556906
1-(2,2-difluoroethyl)-3-methyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-ide;yttrium
CID 157808206
5-fluoro-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 160062876
3,5-dimethyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 160247595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)?
The IUPAC name of N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium) (CID 58625893) is N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium).
What is the SMILES notation for N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)?
The canonical SMILES for N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium) is [CH2-]CN(C)c1[c-]cc(C)c(C)c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)?
The InChIKey is BKPDFQZHVXVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.13Y/c1-5-12(4)11-7-6-9(2)10(3)8-11;;;;;;;;;;;;;/h6,8H,1,5H2,2-4H3;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;.
What are the key properties of N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium)?
N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium) has a molecular weight of 1317.03 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,4-trimethylbenzene-6-id-1-amine;tridecakis(yttrium) is sourced from PubChem (CID 58625893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).