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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 129289920
CID 129289920
CID 154420816
CID 154420816
CID 70422147
CID 70422147
CID 134927425
CID 134927425
CID 134973086
CID 134973086
CID 134993990
CID 134993990
CID 135038498
CID 135038498
CID 142416695
CID 142416695
CID 57309416
CID 57309416
CID 58121825
CID 58121825
CID 58527550
CID 58527550
CID 59885959
CID 59885959

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).