N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)

C12H15NW — CID 58259819

IUPACN-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
SMILESC/[C-]=N/c1[c-]cc(C(C)(C)C)cc1.[W+2]
InChIInChI=1S/C12H15N.W/c1-5-13-11-8-6-10(7-9-11)12(2,3)4;/h6-8H,1-4H3;/q-2;+2
InChIKeyCFUQMNCYZDXPRB-UHFFFAOYSA-N
MW357.10 g/mol
LogP3.38
Rot. Bonds1

About N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)

N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+) (PubChem CID 58259819) has the molecular formula C12H15NW and a molecular weight of 357.10 g/mol. Its IUPAC name is N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+).

Molecular Properties

Compound NameN-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
PubChem CID58259819
Molecular FormulaC12H15NW
Molecular Weight357.10 g/mol
Exact Mass357.07
IUPAC NameN-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
SMILESC/[C-]=N/c1[c-]cc(C(C)(C)C)cc1.[W+2]
InChIInChI=1S/C12H15N.W/c1-5-13-11-8-6-10(7-9-11)12(2,3)4;/h6-8H,1-4H3;/q-2;+2
InChIKeyCFUQMNCYZDXPRB-UHFFFAOYSA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.10
LogP ≤ 53.38
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

2-fluoro-6,7-dimethyl-6H-indole
CID 150606982
4,4-Dimethylcarbazole
CID 20098137
N-(3-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20652965
N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20652967
2,2,3-Trimethylcarbazole
CID 21880529
N-(5-methyl-2-propan-2-ylbenzene-6-id-1-yl)ethanimine;uranium(2+)
CID 57722336
potassium 2,3,3-trimethyl-5H-indol-5-ide
CID 58220092
N-(3-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)
CID 58259817
N-[(3E)-4,5,5-trimethylhexa-1,3-dien-2-yl]ethanimine;tungsten(2+)
CID 58259823
sodium 2,3,3-trimethyl-5H-indol-5-ide
CID 58567027
N-(2-methylbenzene-6-id-1-yl)propan-1-imine;tungsten(2+)
CID 59567169
N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)
CID 59659054

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)?
The IUPAC name of N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+) (CID 58259819) is N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+).
What is the SMILES notation for N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)?
The canonical SMILES for N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+) is C/[C-]=N/c1[c-]cc(C(C)(C)C)cc1.[W+2].
What is the InChIKey of N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)?
The InChIKey is CFUQMNCYZDXPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.W/c1-5-13-11-8-6-10(7-9-11)12(2,3)4;/h6-8H,1-4H3;/q-2;+2.
What are the key properties of N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+)?
N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+) has a molecular weight of 357.10 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylbenzene-6-id-1-yl)ethanimine;tungsten(2+) is sourced from PubChem (CID 58259819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).