N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)

C18H22N2Y2-2 — CID 58667078

IUPACN,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)
SMILESCC(NCCNC(C)c1[c-]cccc1)c1[c-]cccc1.[Y].[Y]
InChIInChI=1S/C18H22N2.2Y/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18;;/h3-9,11,15-16,19-20H,13-14H2,1-2H3;;/q-2;;
InChIKeyXQJGGKIOZXUMEO-UHFFFAOYSA-N
MW444.20 g/mol
LogP3.28
Rot. Bonds7

About N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)

N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium) (PubChem CID 58667078) has the molecular formula C18H22N2Y2-2 and a molecular weight of 444.20 g/mol. Its IUPAC name is N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium).

Molecular Properties

Compound NameN,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)
PubChem CID58667078
Molecular FormulaC18H22N2Y2-2
Molecular Weight444.20 g/mol
Exact Mass443.99
IUPAC NameN,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)
SMILESCC(NCCNC(C)c1[c-]cccc1)c1[c-]cccc1.[Y].[Y]
InChIInChI=1S/C18H22N2.2Y/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18;;/h3-9,11,15-16,19-20H,13-14H2,1-2H3;;/q-2;;
InChIKeyXQJGGKIOZXUMEO-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.20
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)?
The IUPAC name of N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium) (CID 58667078) is N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium).
What is the SMILES notation for N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)?
The canonical SMILES for N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium) is CC(NCCNC(C)c1[c-]cccc1)c1[c-]cccc1.[Y].[Y].
What is the InChIKey of N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)?
The InChIKey is XQJGGKIOZXUMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.2Y/c1-15(17-9-5-3-6-10-17)19-13-14-20-16(2)18-11-7-4-8-12-18;;/h3-9,11,15-16,19-20H,13-14H2,1-2H3;;/q-2;;.
What are the key properties of N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium)?
N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium) has a molecular weight of 444.20 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-phenylethyl)ethane-1,2-diamine;bis(yttrium) is sourced from PubChem (CID 58667078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).