(2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)

C8H17NOY4 — CID 163954290

IUPAC(2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)
SMILESC=C(C)[C@H](CO)NC(C)C.[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H17NO.4Y/c1-6(2)8(5-10)9-7(3)4;;;;/h7-10H,1,5H2,2-4H3;;;;/t8-;;;;/m0..../s1
InChIKeyCIOAELOEIUAKIT-USHJOAKVSA-N
MW498.85 g/mol
LogP0.91
Rot. Bonds4

About (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)

(2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium) (PubChem CID 163954290) has the molecular formula C8H17NOY4 and a molecular weight of 498.85 g/mol. Its IUPAC name is (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium).

Molecular Properties

Compound Name(2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)
PubChem CID163954290
Molecular FormulaC8H17NOY4
Molecular Weight498.85 g/mol
Exact Mass498.75
IUPAC Name(2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)
SMILESC=C(C)[C@H](CO)NC(C)C.[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H17NO.4Y/c1-6(2)8(5-10)9-7(3)4;;;;/h7-10H,1,5H2,2-4H3;;;;/t8-;;;;/m0..../s1
InChIKeyCIOAELOEIUAKIT-USHJOAKVSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.85
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Butylamino)but-3-en-1-ol
CID 21713283
2-(But-3-enylamino)-3-methylbutan-1-ol
CID 57591248
2-(Methylamino)-3-methylidenepentan-1-ol
CID 59110297
2-(2-Methylprop-2-enylamino)butan-1-ol
CID 60686994
4-Methyl-3-(methylamino)pent-4-en-2-ol
CID 76225186
2-(Ethylamino)-3-methylbut-3-en-1-ol
CID 123757643
2-(2-Ethylpent-2-enylamino)propan-1-ol
CID 123886226
2-(2,3-Dimethylbut-3-en-2-ylamino)propan-1-ol
CID 134331014
(3S)-4-methyl-3-(methylamino)pent-4-en-2-ol
CID 137546319
2-[(1-Hydroxy-2-methylprop-2-enyl)amino]butan-1-ol
CID 139476349
Ethane;4-methyl-2-(methylamino)pent-4-en-1-ol
CID 142030684
Ethane;2-(ethylamino)but-3-en-1-ol
CID 144477467

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)?
The IUPAC name of (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium) (CID 163954290) is (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium).
What is the SMILES notation for (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)?
The canonical SMILES for (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium) is C=C(C)[C@H](CO)NC(C)C.[Y].[Y].[Y].[Y].
What is the InChIKey of (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)?
The InChIKey is CIOAELOEIUAKIT-USHJOAKVSA-N. The full InChI is InChI=1S/C8H17NO.4Y/c1-6(2)8(5-10)9-7(3)4;;;;/h7-10H,1,5H2,2-4H3;;;;/t8-;;;;/m0..../s1.
What are the key properties of (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium)?
(2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium) has a molecular weight of 498.85 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(propan-2-ylamino)but-3-en-1-ol;tetrakis(yttrium) is sourced from PubChem (CID 163954290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).