N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium

C8H13NY-2 — CID 59148093

IUPACN-but-2-en-2-yl-2-methylpropan-1-imine;yttrium
SMILESC/[C-]=C(C)/N=[C-]/C(C)C.[Y]
InChIInChI=1S/C8H13N.Y/c1-5-8(4)9-6-7(2)3;/h7H,1-4H3;/q-2;
InChIKeyFLHFEGGRQRUGCY-UHFFFAOYSA-N
MW212.10 g/mol
LogP2.31
Rot. Bonds2

About N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium

N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium (PubChem CID 59148093) has the molecular formula C8H13NY-2 and a molecular weight of 212.10 g/mol. Its IUPAC name is N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium.

Molecular Properties

Compound NameN-but-2-en-2-yl-2-methylpropan-1-imine;yttrium
PubChem CID59148093
Molecular FormulaC8H13NY-2
Molecular Weight212.10 g/mol
Exact Mass212.01
IUPAC NameN-but-2-en-2-yl-2-methylpropan-1-imine;yttrium
SMILESC/[C-]=C(C)/N=[C-]/C(C)C.[Y]
InChIInChI=1S/C8H13N.Y/c1-5-8(4)9-6-7(2)3;/h7H,1-4H3;/q-2;
InChIKeyFLHFEGGRQRUGCY-UHFFFAOYSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium
CID 155657078
acetic acid;ethanone;2-methylpropan-1-one;silver
CID 146467097
N-but-2-en-2-ylmethanimine;uranium;vanadium
CID 59967511
lithium N-tert-butyl-2-methylpropan-1-imine
CID 135078426
N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium
CID 162288992
potassium 2-methylpropan-1-one
CID 59962400
tris(butan-2-ol);gallane
CID 175569742
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
cobalt;tetramethylphosphanium
CID 175561525
(Z)-3-(C,N-dimethylcarbonimidoyl)pent-2-ene-2,4-diamine
CID 171626416
carbanide;2-methylbut-2-ene;1,2,3,4,5-pentamethylbenzene-6-ide;bis(yttrium)
CID 161433981
propan-2-ol;titanium(4+);tetrachloride
CID 157071877

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium?
The IUPAC name of N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium (CID 59148093) is N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium.
What is the SMILES notation for N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium?
The canonical SMILES for N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium is C/[C-]=C(C)/N=[C-]/C(C)C.[Y].
What is the InChIKey of N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium?
The InChIKey is FLHFEGGRQRUGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.Y/c1-5-8(4)9-6-7(2)3;/h7H,1-4H3;/q-2;.
What are the key properties of N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium?
N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium has a molecular weight of 212.10 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-2-methylpropan-1-imine;yttrium is sourced from PubChem (CID 59148093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).