carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)

C20H40NNb-3 — CID 162492282

IUPACcarbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)
SMILESCC1CC[CH-]CC1.CC1CC[CH-]CC1.CCC(C)(C)N=[Nb].[CH3-]
InChIInChI=1S/2C7H13.C5H11N.CH3.Nb/c2*1-7-5-3-2-4-6-7;1-4-5(2,3)6;;/h2*2,7H,3-6H2,1H3;4H2,1-3H3;1H3;/q2*-1;;-1;
InChIKeyPRXYVBPNRAFLNK-UHFFFAOYSA-N
MW387.45 g/mol
LogP7.16
Rot. Bonds2

About carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)

carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane) (PubChem CID 162492282) has the molecular formula C20H40NNb-3 and a molecular weight of 387.45 g/mol. Its IUPAC name is carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane).

Molecular Properties

Compound Namecarbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)
PubChem CID162492282
Molecular FormulaC20H40NNb-3
Molecular Weight387.45 g/mol
Exact Mass387.22
IUPAC Namecarbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)
SMILESCC1CC[CH-]CC1.CC1CC[CH-]CC1.CCC(C)(C)N=[Nb].[CH3-]
InChIInChI=1S/2C7H13.C5H11N.CH3.Nb/c2*1-7-5-3-2-4-6-7;1-4-5(2,3)6;;/h2*2,7H,3-6H2,1H3;4H2,1-3H3;1H3;/q2*-1;;-1;
InChIKeyPRXYVBPNRAFLNK-UHFFFAOYSA-N
XLogP7.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 57.16
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
tert-butyliminoniobium;cyclohexane;ethane;methylcyclohexane
CID 162492427
carbanide;cyclohexane;1,3-diethylcyclohexane;2-methylbutan-2-yliminoniobium
CID 162492397
butan-2-yliminotantalum;carbanide;bis(methylcyclohexane)
CID 162492307
bromozinc(1+);methylcyclohexane
CID 133144590
butan-2-yliminotantalum;ethane;bis(methylcyclohexane)
CID 162492299
tris(diethylazanide);2-methylbutan-2-yliminoniobium
CID 175814454
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
magnesium;carbanide;1-(cyclohexylmethyl)-4-methylcyclohexane
CID 59888204
1-cyclohexyl-4-methylcyclohexane;methylcyclohexane;tungsten;uranium(2+)
CID 59386265

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)?
The IUPAC name of carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane) (CID 162492282) is carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane).
What is the SMILES notation for carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)?
The canonical SMILES for carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane) is CC1CC[CH-]CC1.CC1CC[CH-]CC1.CCC(C)(C)N=[Nb].[CH3-].
What is the InChIKey of carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)?
The InChIKey is PRXYVBPNRAFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13.C5H11N.CH3.Nb/c2*1-7-5-3-2-4-6-7;1-4-5(2,3)6;;/h2*2,7H,3-6H2,1H3;4H2,1-3H3;1H3;/q2*-1;;-1;.
What are the key properties of carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane)?
carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane) has a molecular weight of 387.45 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methylbutan-2-yliminoniobium;bis(methylcyclohexane) is sourced from PubChem (CID 162492282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).