oxan-4-amine;pentakis(yttrium)

C5H11NOY5 — CID 158916020

IUPACoxan-4-amine;pentakis(yttrium)
SMILESNC1CCOCC1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C5H11NO.5Y/c6-5-1-3-7-4-2-5;;;;;/h5H,1-4,6H2;;;;;
InChIKeyJHFVEZXJTPVLEB-UHFFFAOYSA-N
MW545.68 g/mol
LogP0.11
Rot. Bonds

About oxan-4-amine;pentakis(yttrium)

oxan-4-amine;pentakis(yttrium) (PubChem CID 158916020) has the molecular formula C5H11NOY5 and a molecular weight of 545.68 g/mol. Its IUPAC name is oxan-4-amine;pentakis(yttrium).

Molecular Properties

Compound Nameoxan-4-amine;pentakis(yttrium)
PubChem CID158916020
Molecular FormulaC5H11NOY5
Molecular Weight545.68 g/mol
Exact Mass545.61
IUPAC Nameoxan-4-amine;pentakis(yttrium)
SMILESNC1CCOCC1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C5H11NO.5Y/c6-5-1-3-7-4-2-5;;;;;/h5H,1-4,6H2;;;;;
InChIKeyJHFVEZXJTPVLEB-UHFFFAOYSA-N
XLogP0.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.68
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methylpiperidine;oxan-4-amine
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(3S)-3-methylpiperidine;oxan-4-amine
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cyclohexane-1,4-diamine;hydrochloride
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2,2,6,6-tetradeuteriooxan-4-amine
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2-(oxan-4-yl)cyclobutan-1-amine
CID 81015020
oxan-4-ylmethylhydrazine
CID 53415127
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
1-(oxolan-3-yl)piperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of oxan-4-amine;pentakis(yttrium)?
The IUPAC name of oxan-4-amine;pentakis(yttrium) (CID 158916020) is oxan-4-amine;pentakis(yttrium).
What is the SMILES notation for oxan-4-amine;pentakis(yttrium)?
The canonical SMILES for oxan-4-amine;pentakis(yttrium) is NC1CCOCC1.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of oxan-4-amine;pentakis(yttrium)?
The InChIKey is JHFVEZXJTPVLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.5Y/c6-5-1-3-7-4-2-5;;;;;/h5H,1-4,6H2;;;;;.
What are the key properties of oxan-4-amine;pentakis(yttrium)?
oxan-4-amine;pentakis(yttrium) has a molecular weight of 545.68 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-amine;pentakis(yttrium) is sourced from PubChem (CID 158916020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).