bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane

C27H59MoN4-3 — CID 162467971

IUPACbis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane
SMILESCCC(C)(C)N=[Mo]=NC(C)(C)CC.CCCC[N-]C([N-]CCCC)C(C)(C)C.C[C-](C)C
InChIInChI=1S/C13H28N2.2C5H11N.C4H9.Mo/c1-6-8-10-14-12(13(3,4)5)15-11-9-7-2;2*1-4-5(2,3)6;1-4(2)3;/h12H,6-11H2,1-5H3;2*4H2,1-3H3;1-3H3;/q-2;;;-1;
InChIKeyNDOSCGYHATYNEN-UHFFFAOYSA-N
MW535.74 g/mol
LogP10.14
Rot. Bonds12

About bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane

bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane (PubChem CID 162467971) has the molecular formula C27H59MoN4-3 and a molecular weight of 535.74 g/mol. Its IUPAC name is bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane.

Molecular Properties

Compound Namebis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane
PubChem CID162467971
Molecular FormulaC27H59MoN4-3
Molecular Weight535.74 g/mol
Exact Mass537.38
IUPAC Namebis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane
SMILESCCC(C)(C)N=[Mo]=NC(C)(C)CC.CCCC[N-]C([N-]CCCC)C(C)(C)C.C[C-](C)C
InChIInChI=1S/C13H28N2.2C5H11N.C4H9.Mo/c1-6-8-10-14-12(13(3,4)5)15-11-9-7-2;2*1-4-5(2,3)6;1-4(2)3;/h12H,6-11H2,1-5H3;2*4H2,1-3H3;1-3H3;/q-2;;;-1;
InChIKeyNDOSCGYHATYNEN-UHFFFAOYSA-N
XLogP10.14
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.74
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide
CID 162467898
bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane
CID 162467953
bis(tert-butylimino)molybdenum;tert-butyl-(1-tert-butylazanidyl-2,2-dimethylpropyl)azanide;carbanide
CID 162467903
lithium;2-methylpropane;pentane
CID 22145938
3-(2,2-dimethyloctan-3-ylperoxy)-2,2-dimethyloctane
CID 175062921
6-tert-butylundecane
CID 90714582
2-methoxypropan-2-yl(pentadecan-2-yl)diazene
CID 21387369
2-methoxypropan-2-yl(octan-2-yl)diazene
CID 21387116
bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)
CID 154626212
9-tert-butylhenicosane
CID 150708915
2-chloropropan-2-yl(octan-2-yl)diazene
CID 21387185
(3S)-2,2-dimethyloctan-3-amine
CID 93237613

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane?
The IUPAC name of bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane (CID 162467971) is bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane.
What is the SMILES notation for bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane?
The canonical SMILES for bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane is CCC(C)(C)N=[Mo]=NC(C)(C)CC.CCCC[N-]C([N-]CCCC)C(C)(C)C.C[C-](C)C.
What is the InChIKey of bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane?
The InChIKey is NDOSCGYHATYNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.2C5H11N.C4H9.Mo/c1-6-8-10-14-12(13(3,4)5)15-11-9-7-2;2*1-4-5(2,3)6;1-4(2)3;/h12H,6-11H2,1-5H3;2*4H2,1-3H3;1-3H3;/q-2;;;-1;.
What are the key properties of bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane?
bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane has a molecular weight of 535.74 g/mol, XLogP of 10.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutan-2-ylimino)molybdenum;butyl-(1-butylazanidyl-2,2-dimethylpropyl)azanide;2-methylpropane is sourced from PubChem (CID 162467971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).