bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)

C20H44N4Ti — CID 87935492

IUPACbis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)
SMILESCC(C)(C)[N-]CC[N-]C(C)(C)C.CC(C)(C)[N-]CC[N-]C(C)(C)C.[Ti+4]
InChIInChI=1S/2C10H22N2.Ti/c2*1-9(2,3)11-7-8-12-10(4,5)6;/h2*7-8H2,1-6H3;/q2*-2;+4
InChIKeyDSNQRLCNHNCLPW-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.66
Rot. Bonds6

About bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)

bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+) (PubChem CID 87935492) has the molecular formula C20H44N4Ti and a molecular weight of 388.47 g/mol. Its IUPAC name is bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+).

Molecular Properties

Compound Namebis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)
PubChem CID87935492
Molecular FormulaC20H44N4Ti
Molecular Weight388.47 g/mol
Exact Mass388.30
IUPAC Namebis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)
SMILESCC(C)(C)[N-]CC[N-]C(C)(C)C.CC(C)(C)[N-]CC[N-]C(C)(C)C.[Ti+4]
InChIInChI=1S/2C10H22N2.Ti/c2*1-9(2,3)11-7-8-12-10(4,5)6;/h2*7-8H2,1-6H3;/q2*-2;+4
InChIKeyDSNQRLCNHNCLPW-UHFFFAOYSA-N
XLogP6.66
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dilithium;tert-butyl(2-tert-butylazanidylethyl)azanide
CID 59557620
tert-butyl(2-tert-butylazanidylethyl)azanide;manganese(2+)
CID 140844875
bis(tert-butyl(tert-butylazanidylmethyl)azanide);ethane;nickel
CID 162282784
tert-butyl(ethyl)azanide;ethane;yttrium
CID 158619467
tert-butyl-[2-(2,3,4,5-tetramethylcyclopentyl)ethyl]azanide;dichlorotitanium
CID 23232448
tert-butyl(1-tert-butylazanidylpropan-2-yl)azanide;carbanide;hafnium(4+)
CID 169281312
bis(bis(trimethylsilyl)azanide);tert-butyl-[2-(3-tert-butyl-2H-imidazol-2-id-1-yl)ethyl]azanide;yttrium
CID 5255297
potassium tert-butyl(2,3-dimethoxypropyl)azanide
CID 145053794
tert-butyl(methyl)azanide;rubidium(1+)
CID 165029324
tris(ditert-butylazanide);lanthanum(3+)
CID 58403090
(3-methanidyl-3-methylbutyl)-(2,3,3-trimethylbutan-2-yl)azanide;yttrium
CID 59881198
bis(tert-butyl(methyl)azanide);neodymium(3+);fluoride
CID 87163662

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)?
The IUPAC name of bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+) (CID 87935492) is bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+).
What is the SMILES notation for bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)?
The canonical SMILES for bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+) is CC(C)(C)[N-]CC[N-]C(C)(C)C.CC(C)(C)[N-]CC[N-]C(C)(C)C.[Ti+4].
What is the InChIKey of bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)?
The InChIKey is DSNQRLCNHNCLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N2.Ti/c2*1-9(2,3)11-7-8-12-10(4,5)6;/h2*7-8H2,1-6H3;/q2*-2;+4.
What are the key properties of bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+)?
bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+) has a molecular weight of 388.47 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl(2-tert-butylazanidylethyl)azanide);titanium(4+) is sourced from PubChem (CID 87935492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).