3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium

C10H14NY- — CID 58336289

IUPAC3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium
SMILESCCc1c[c-]cc(N(C)C)c1.[Y]
InChIInChI=1S/C10H14N.Y/c1-4-9-6-5-7-10(8-9)11(2)3;/h6-8H,4H2,1-3H3;/q-1;
InChIKeyLSDIEORONORCMN-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.11
Rot. Bonds2

About 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium

3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium (PubChem CID 58336289) has the molecular formula C10H14NY- and a molecular weight of 237.13 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium.

Molecular Properties

Compound Name3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium
PubChem CID58336289
Molecular FormulaC10H14NY-
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium
SMILESCCc1c[c-]cc(N(C)C)c1.[Y]
InChIInChI=1S/C10H14N.Y/c1-4-9-6-5-7-10(8-9)11(2)3;/h6-8H,4H2,1-3H3;/q-1;
InChIKeyLSDIEORONORCMN-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.11
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,N,4-trimethylcyclohexa-1,3-dien-1-amine
CID 19835393
Dimethylaminofulvene
CID 90007951
1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
CID 141175474
2-fluoro-1,4,6-trimethyl-2H-pyridine
CID 150620231
2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310
3-Fluoro-1,5-dimethyl-2-methylidenepyridine
CID 148998664
1,2,4,6-tetramethyl-2H-pyridine
CID 423780
N,N,4-trimethylcyclohexa-1,5-dien-1-amine
CID 19940301
N,N,2-trimethylcyclohexa-1,5-dien-1-amine
CID 20184805
1,4,5,6-tetramethyl-2H-pyridine
CID 20479161
N,N,5-trimethylcyclohexa-1,5-dien-1-amine
CID 20528984
1,5-Dimethyl-2-methylidenepyridine
CID 20671513

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium?
The IUPAC name of 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium (CID 58336289) is 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium.
What is the SMILES notation for 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium?
The canonical SMILES for 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium is CCc1c[c-]cc(N(C)C)c1.[Y].
What is the InChIKey of 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium?
The InChIKey is LSDIEORONORCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.Y/c1-4-9-6-5-7-10(8-9)11(2)3;/h6-8H,4H2,1-3H3;/q-1;.
What are the key properties of 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium?
3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium has a molecular weight of 237.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethylbenzene-5-id-1-amine;yttrium is sourced from PubChem (CID 58336289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).