tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane

C19H38NNb-3 — CID 162492427

IUPACtert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane
SMILESCC(C)(C)N=[Nb].CC1CC[CH-]CC1.[CH-]1CCCCC1.[CH2-]C
InChIInChI=1S/C7H13.C6H11.C4H9N.C2H5.Nb/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4(2,3)5;1-2;/h2,7H,3-6H2,1H3;1H,2-6H2;1-3H3;1H2,2H3;/q2*-1;;-1;
InChIKeyLIXQODIWQFLWHG-UHFFFAOYSA-N
MW373.43 g/mol
LogP6.91
Rot. Bonds

About tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane

tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane (PubChem CID 162492427) has the molecular formula C19H38NNb-3 and a molecular weight of 373.43 g/mol. Its IUPAC name is tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane.

Molecular Properties

Compound Nametert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane
PubChem CID162492427
Molecular FormulaC19H38NNb-3
Molecular Weight373.43 g/mol
Exact Mass373.21
IUPAC Nametert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane
SMILESCC(C)(C)N=[Nb].CC1CC[CH-]CC1.[CH-]1CCCCC1.[CH2-]C
InChIInChI=1S/C7H13.C6H11.C4H9N.C2H5.Nb/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4(2,3)5;1-2;/h2,7H,3-6H2,1H3;1H,2-6H2;1-3H3;1H2,2H3;/q2*-1;;-1;
InChIKeyLIXQODIWQFLWHG-UHFFFAOYSA-N
XLogP6.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;ethane;2-methylbutan-2-yliminotantalum;methylcyclohexane
CID 162492242
carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)
CID 162492282
carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium
CID 162492397
bromozinc(1+);methylcyclohexane
CID 133144590
butan-2-yliminotantalum;ethane;bis(methylcyclohexane)
CID 162492299
tert-butyliminotantalum;cyclohexane;ethane;1-ethyl-3-methylcyclohexane
CID 162492425
cyclohexane;1,3-dimethylcyclohexane;ethane;2-methylbutan-2-yliminotantalum
CID 162492279
cyclohexane;1,3-dimethylcyclohexane;ethane;2-methylbutan-2-yliminotantalum
CID 162492324
bis(cyclohexane);ethane;2-methylbutan-2-yliminotantalum
CID 162492377
1-cyclohexyl-4-methylcyclohexane;methylcyclohexane;tungsten;uranium(2+)
CID 59386265
butan-2-yliminotantalum;carbanide;bis(methylcyclohexane)
CID 162492307
cyclohexane;ethane;1-ethyl-3-methylcyclohexane;2-methylbutan-2-yliminotantalum
CID 162492404

Frequently Asked Questions

What is the IUPAC name of tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane?
The IUPAC name of tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane (CID 162492427) is tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane.
What is the SMILES notation for tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane?
The canonical SMILES for tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane is CC(C)(C)N=[Nb].CC1CC[CH-]CC1.[CH-]1CCCCC1.[CH2-]C.
What is the InChIKey of tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane?
The InChIKey is LIXQODIWQFLWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13.C6H11.C4H9N.C2H5.Nb/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4(2,3)5;1-2;/h2,7H,3-6H2,1H3;1H,2-6H2;1-3H3;1H2,2H3;/q2*-1;;-1;.
What are the key properties of tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane?
tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane has a molecular weight of 373.43 g/mol, XLogP of 6.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane is sourced from PubChem (CID 162492427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).