N,N,3-trimethylbenzene-4-id-1-amine;yttrium

C9H12NY- — CID 59870101

IUPACN,N,3-trimethylbenzene-4-id-1-amine;yttrium
SMILESCc1[c-]ccc(N(C)C)c1.[Y]
InChIInChI=1S/C9H12N.Y/c1-8-5-4-6-9(7-8)10(2)3;/h4,6-7H,1-3H3;/q-1;
InChIKeyGGCXAWFKQFRNIB-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.86
Rot. Bonds1

About N,N,3-trimethylbenzene-4-id-1-amine;yttrium

N,N,3-trimethylbenzene-4-id-1-amine;yttrium (PubChem CID 59870101) has the molecular formula C9H12NY- and a molecular weight of 223.11 g/mol. Its IUPAC name is N,N,3-trimethylbenzene-4-id-1-amine;yttrium.

Molecular Properties

Compound NameN,N,3-trimethylbenzene-4-id-1-amine;yttrium
PubChem CID59870101
Molecular FormulaC9H12NY-
Molecular Weight223.11 g/mol
Exact Mass223.00
IUPAC NameN,N,3-trimethylbenzene-4-id-1-amine;yttrium
SMILESCc1[c-]ccc(N(C)C)c1.[Y]
InChIInChI=1S/C9H12N.Y/c1-8-5-4-6-9(7-8)10(2)3;/h4,6-7H,1-3H3;/q-1;
InChIKeyGGCXAWFKQFRNIB-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.86
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

Ethanamine, 1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl-
CID 585126
N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
N-methyl-2,6-lutidine
CID 68311864
1,2-Dimethyl-5-vinyl pyridine
CID 69342103
N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine
CID 89204023
Dimethylaminofulvene
CID 90007951
lithium N,N-dimethyl-4-(trifluoromethyl)benzene-5-id-1-amine
CID 57534395
1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
CID 141175474
2-fluoro-1,4,6-trimethyl-2H-pyridine
CID 150620231
3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 161387175
2-Cyclopenta-2,4-dien-1-ylidenepyridin-1-ide
CID 11987190
2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylbenzene-4-id-1-amine;yttrium?
The IUPAC name of N,N,3-trimethylbenzene-4-id-1-amine;yttrium (CID 59870101) is N,N,3-trimethylbenzene-4-id-1-amine;yttrium.
What is the SMILES notation for N,N,3-trimethylbenzene-4-id-1-amine;yttrium?
The canonical SMILES for N,N,3-trimethylbenzene-4-id-1-amine;yttrium is Cc1[c-]ccc(N(C)C)c1.[Y].
What is the InChIKey of N,N,3-trimethylbenzene-4-id-1-amine;yttrium?
The InChIKey is GGCXAWFKQFRNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Y/c1-8-5-4-6-9(7-8)10(2)3;/h4,6-7H,1-3H3;/q-1;.
What are the key properties of N,N,3-trimethylbenzene-4-id-1-amine;yttrium?
N,N,3-trimethylbenzene-4-id-1-amine;yttrium has a molecular weight of 223.11 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylbenzene-4-id-1-amine;yttrium is sourced from PubChem (CID 59870101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).