N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)

C24H51N3Y3-6 — CID 159779282

IUPACN-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)
SMILESC.C.C.[CH2-]C(C)(C)/N=[C-]/C(C)C.[CH2-]C(C)/N=[C-]/C(C)C.[CH2-]C/N=[C-]/C(C)C.[Y].[Y].[Y]
InChIInChI=1S/C8H15N.C7H13N.C6H11N.3CH4.3Y/c1-7(2)6-9-8(3,4)5;1-6(2)5-8-7(3)4;1-4-7-5-6(2)3;;;;;;/h7H,3H2,1-2,4-5H3;6-7H,3H2,1-2,4H3;6H,1,4H2,2-3H3;3*1H4;;;/q3*-2;;;;;;
InChIKeyATNNKIHLOTWQQV-UHFFFAOYSA-N
MW648.41 g/mol
LogP7.34
Rot. Bonds6

About N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)

N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium) (PubChem CID 159779282) has the molecular formula C24H51N3Y3-6 and a molecular weight of 648.41 g/mol. Its IUPAC name is N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium).

Molecular Properties

Compound NameN-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)
PubChem CID159779282
Molecular FormulaC24H51N3Y3-6
Molecular Weight648.41 g/mol
Exact Mass648.13
IUPAC NameN-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)
SMILESC.C.C.[CH2-]C(C)(C)/N=[C-]/C(C)C.[CH2-]C(C)/N=[C-]/C(C)C.[CH2-]C/N=[C-]/C(C)C.[Y].[Y].[Y]
InChIInChI=1S/C8H15N.C7H13N.C6H11N.3CH4.3Y/c1-7(2)6-9-8(3,4)5;1-6(2)5-8-7(3)4;1-4-7-5-6(2)3;;;;;;/h7H,3H2,1-2,4-5H3;6-7H,3H2,1-2,4H3;6H,1,4H2,2-3H3;3*1H4;;;/q3*-2;;;;;;
InChIKeyATNNKIHLOTWQQV-UHFFFAOYSA-N
XLogP7.34
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.41
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

lithium N-tert-butyl-2-methylpropan-1-imine
CID 135078426
2-methanidyl-2,3-dimethylpentane;yttrium
CID 59936571
2-methanidyl-2-methylpropane;rhenium;yttrium
CID 58594735
ethane;methane;2-methanidylpropane;yttrium
CID 159674866
N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium
CID 155657078
2-methanidylpropane;decakis(yttrium)
CID 167360236
2-methanidylpropane;tungsten
CID 166592689
2-methanidylpropane;phosphanylmethanone;bis(yttrium)
CID 58100891
bis(2-methylbutane);yttrium
CID 140616958
2-methanidylpropane;propane;tungsten(2+)
CID 59881862
4-methanidyl-2,2-dimethylpentane;yttrium
CID 59107436
N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium
CID 59148093

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)?
The IUPAC name of N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium) (CID 159779282) is N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium).
What is the SMILES notation for N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)?
The canonical SMILES for N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium) is C.C.C.[CH2-]C(C)(C)/N=[C-]/C(C)C.[CH2-]C(C)/N=[C-]/C(C)C.[CH2-]C/N=[C-]/C(C)C.[Y].[Y].[Y].
What is the InChIKey of N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)?
The InChIKey is ATNNKIHLOTWQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C7H13N.C6H11N.3CH4.3Y/c1-7(2)6-9-8(3,4)5;1-6(2)5-8-7(3)4;1-4-7-5-6(2)3;;;;;;/h7H,3H2,1-2,4-5H3;6-7H,3H2,1-2,4H3;6H,1,4H2,2-3H3;3*1H4;;;/q3*-2;;;;;;.
What are the key properties of N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium)?
N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium) has a molecular weight of 648.41 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylpropan-1-imine;methane;N-(2-methanidylpropan-2-yl)-2-methylpropan-1-imine;2-methyl-N-propan-2-ylpropan-1-imine;tris(yttrium) is sourced from PubChem (CID 159779282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).