N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)

C12H21NV — CID 18719741

IUPACN-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)
SMILESC/[C-]=N/C(=[C-]/C(C)(C)C)C(C)(C)C.[V+2]
InChIInChI=1S/C12H21N.V/c1-8-13-10(12(5,6)7)9-11(2,3)4;/h1-7H3;/q-2;+2
InChIKeyDWQDUKAUDKQSJK-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.73
Rot. Bonds1

About N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)

N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+) (PubChem CID 18719741) has the molecular formula C12H21NV and a molecular weight of 230.25 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+).

Molecular Properties

Compound NameN-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)
PubChem CID18719741
Molecular FormulaC12H21NV
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC NameN-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)
SMILESC/[C-]=N/C(=[C-]/C(C)(C)C)C(C)(C)C.[V+2]
InChIInChI=1S/C12H21N.V/c1-8-13-10(12(5,6)7)9-11(2,3)4;/h1-7H3;/q-2;+2
InChIKeyDWQDUKAUDKQSJK-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 ≤ 500230.25
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-pent-2-en-3-ylethanimine;vanadium(2+)
CID 58760499
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
N-(3-methylpent-2-en-2-yl)propan-2-imine
CID 123477094
N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine
CID 143444586
N-(4,4-dimethylpent-2-en-3-yl)-2,2-dimethylpropan-1-imine;yttrium
CID 167377208

Frequently Asked Questions

What is the IUPAC name of N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)?
The IUPAC name of N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+) (CID 18719741) is N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+).
What is the SMILES notation for N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)?
The canonical SMILES for N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+) is C/[C-]=N/C(=[C-]/C(C)(C)C)C(C)(C)C.[V+2].
What is the InChIKey of N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)?
The InChIKey is DWQDUKAUDKQSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.V/c1-8-13-10(12(5,6)7)9-11(2,3)4;/h1-7H3;/q-2;+2.
What are the key properties of N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)?
N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+) has a molecular weight of 230.25 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-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+) is sourced from PubChem (CID 18719741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).