N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium

C12H21NY-2 — CID 167377208

IUPACN-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium
SMILESC/[C-]=C(/N=[C-]/C(C)(C)C)C(C)(C)C.[Y]
InChIInChI=1S/C12H21N.Y/c1-8-10(12(5,6)7)13-9-11(2,3)4;/h1-7H3;/q-2;
InChIKeyFRELRCUZNKJOMK-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.73
Rot. Bonds1

About N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium

N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium (PubChem CID 167377208) has the molecular formula C12H21NY-2 and a molecular weight of 268.21 g/mol. Its IUPAC name is N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium.

Molecular Properties

Compound NameN-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium
PubChem CID167377208
Molecular FormulaC12H21NY-2
Molecular Weight268.21 g/mol
Exact Mass268.07
IUPAC NameN-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium
SMILESC/[C-]=C(/N=[C-]/C(C)(C)C)C(C)(C)C.[Y]
InChIInChI=1S/C12H21N.Y/c1-8-10(12(5,6)7)13-9-11(2,3)4;/h1-7H3;/q-2;
InChIKeyFRELRCUZNKJOMK-UHFFFAOYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.73
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-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)
CID 18719741
4,5-Dimethyl-2,3-dihydropyrrol-2-ide;yttrium
CID 59009700
N-(4-methylpent-2-en-2-yl)ethanimine;yttrium
CID 59148080
2,2-dimethyl-N-(2,2,5,5-tetramethylhex-3-en-3-yl)propan-1-imine;yttrium
CID 60024113

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium?
The IUPAC name of N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium (CID 167377208) is N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium.
What is the SMILES notation for N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium?
The canonical SMILES for N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium is C/[C-]=C(/N=[C-]/C(C)(C)C)C(C)(C)C.[Y].
What is the InChIKey of N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium?
The InChIKey is FRELRCUZNKJOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.Y/c1-8-10(12(5,6)7)13-9-11(2,3)4;/h1-7H3;/q-2;.
What are the key properties of N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium?
N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium has a molecular weight of 268.21 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium is sourced from PubChem (CID 167377208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).