bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane

C23H51MoN4-3 — CID 162467953

IUPACbis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane
SMILESCC(C)(C)N=[Mo]=NC(C)(C)C.CC(C)[N-]C([N-]C(C)C)C(C)(C)C.C[C-](C)C
InChIInChI=1S/C11H24N2.2C4H9N.C4H9.Mo/c1-8(2)12-10(11(5,6)7)13-9(3)4;2*1-4(2,3)5;1-4(2)3;/h8-10H,1-7H3;2*1-3H3;1-3H3;/q-2;;;-1;
InChIKeyHEPPMBFHBCUHIB-UHFFFAOYSA-N
MW479.63 g/mol
LogP8.58
Rot. Bonds4

About bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane

bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane (PubChem CID 162467953) has the molecular formula C23H51MoN4-3 and a molecular weight of 479.63 g/mol. Its IUPAC name is bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane.

Molecular Properties

Compound Namebis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane
PubChem CID162467953
Molecular FormulaC23H51MoN4-3
Molecular Weight479.63 g/mol
Exact Mass481.32
IUPAC Namebis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane
SMILESCC(C)(C)N=[Mo]=NC(C)(C)C.CC(C)[N-]C([N-]C(C)C)C(C)(C)C.C[C-](C)C
InChIInChI=1S/C11H24N2.2C4H9N.C4H9.Mo/c1-8(2)12-10(11(5,6)7)13-9(3)4;2*1-4(2,3)5;1-4(2)3;/h8-10H,1-7H3;2*1-3H3;1-3H3;/q-2;;;-1;
InChIKeyHEPPMBFHBCUHIB-UHFFFAOYSA-N
XLogP8.58
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane?
The IUPAC name of bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane (CID 162467953) is bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane.
What is the SMILES notation for bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane?
The canonical SMILES for bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane is CC(C)(C)N=[Mo]=NC(C)(C)C.CC(C)[N-]C([N-]C(C)C)C(C)(C)C.C[C-](C)C.
What is the InChIKey of bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane?
The InChIKey is HEPPMBFHBCUHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.2C4H9N.C4H9.Mo/c1-8(2)12-10(11(5,6)7)13-9(3)4;2*1-4(2,3)5;1-4(2)3;/h8-10H,1-7H3;2*1-3H3;1-3H3;/q-2;;;-1;.
What are the key properties of bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane?
bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane has a molecular weight of 479.63 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylimino)molybdenum;(2,2-dimethyl-1-propan-2-ylazanidylpropyl)-propan-2-ylazanide;2-methylpropane is sourced from PubChem (CID 162467953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).