carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)

C14H30N2O2Y2-4 — CID 160527663

IUPACcarbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)
SMILES[CH2-]N1CC(OCC)C1.[CH2-]OCC1CN(C)C1.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/2C6H12NO.2CH3.2Y/c1-7-3-6(4-7)5-8-2;1-3-8-6-4-7(2)5-6;;;;/h2*6H,2-5H2,1H3;2*1H3;;/q4*-1;;
InChIKeyAUWJBRGMRZCJET-UHFFFAOYSA-N
MW436.22 g/mol
LogP1.75
Rot. Bonds4

About carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)

carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium) (PubChem CID 160527663) has the molecular formula C14H30N2O2Y2-4 and a molecular weight of 436.22 g/mol. Its IUPAC name is carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium).

Molecular Properties

Compound Namecarbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)
PubChem CID160527663
Molecular FormulaC14H30N2O2Y2-4
Molecular Weight436.22 g/mol
Exact Mass436.04
IUPAC Namecarbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)
SMILES[CH2-]N1CC(OCC)C1.[CH2-]OCC1CN(C)C1.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/2C6H12NO.2CH3.2Y/c1-7-3-6(4-7)5-8-2;1-3-8-6-4-7(2)5-6;;;;/h2*6H,2-5H2,1H3;2*1H3;;/q4*-1;;
InChIKeyAUWJBRGMRZCJET-UHFFFAOYSA-N
XLogP1.75
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)?
The IUPAC name of carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium) (CID 160527663) is carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium).
What is the SMILES notation for carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)?
The canonical SMILES for carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium) is [CH2-]N1CC(OCC)C1.[CH2-]OCC1CN(C)C1.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)?
The InChIKey is AUWJBRGMRZCJET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12NO.2CH3.2Y/c1-7-3-6(4-7)5-8-2;1-3-8-6-4-7(2)5-6;;;;/h2*6H,2-5H2,1H3;2*1H3;;/q4*-1;;.
What are the key properties of carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium)?
carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium) has a molecular weight of 436.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-ethoxy-1-methanidylazetidine;3-(methanidyloxymethyl)-1-methylazetidine;bis(yttrium) is sourced from PubChem (CID 160527663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).