N-ethylethanamine;propylbenzene;yttrium(3+)

C13H20NY — CID 21034054

IUPACN-ethylethanamine;propylbenzene;yttrium(3+)
SMILESCCCc1[c-]cccc1.[CH2-]CNC[CH2-].[Y+3]
InChIInChI=1S/C9H11.C4H9N.Y/c1-2-6-9-7-4-3-5-8-9;1-3-5-4-2;/h3-5,7H,2,6H2,1H3;5H,1-4H2;/q-1;-2;+3
InChIKeyZXXKTASXBVNKJD-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.68
Rot. Bonds4

About N-ethylethanamine;propylbenzene;yttrium(3+)

N-ethylethanamine;propylbenzene;yttrium(3+) (PubChem CID 21034054) has the molecular formula C13H20NY and a molecular weight of 279.22 g/mol. Its IUPAC name is N-ethylethanamine;propylbenzene;yttrium(3+).

Molecular Properties

Compound NameN-ethylethanamine;propylbenzene;yttrium(3+)
PubChem CID21034054
Molecular FormulaC13H20NY
Molecular Weight279.22 g/mol
Exact Mass279.07
IUPAC NameN-ethylethanamine;propylbenzene;yttrium(3+)
SMILESCCCc1[c-]cccc1.[CH2-]CNC[CH2-].[Y+3]
InChIInChI=1S/C9H11.C4H9N.Y/c1-2-6-9-7-4-3-5-8-9;1-3-5-4-2;/h3-5,7H,2,6H2,1H3;5H,1-4H2;/q-1;-2;+3
InChIKeyZXXKTASXBVNKJD-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;propylbenzene;yttrium(3+)?
The IUPAC name of N-ethylethanamine;propylbenzene;yttrium(3+) (CID 21034054) is N-ethylethanamine;propylbenzene;yttrium(3+).
What is the SMILES notation for N-ethylethanamine;propylbenzene;yttrium(3+)?
The canonical SMILES for N-ethylethanamine;propylbenzene;yttrium(3+) is CCCc1[c-]cccc1.[CH2-]CNC[CH2-].[Y+3].
What is the InChIKey of N-ethylethanamine;propylbenzene;yttrium(3+)?
The InChIKey is ZXXKTASXBVNKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.C4H9N.Y/c1-2-6-9-7-4-3-5-8-9;1-3-5-4-2;/h3-5,7H,2,6H2,1H3;5H,1-4H2;/q-1;-2;+3.
What are the key properties of N-ethylethanamine;propylbenzene;yttrium(3+)?
N-ethylethanamine;propylbenzene;yttrium(3+) has a molecular weight of 279.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;propylbenzene;yttrium(3+) is sourced from PubChem (CID 21034054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).