tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)

C13H25Cl3N2Ti — CID 140501196

IUPACtert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
SMILESC/C(=C/C(C)=N/C(C)(C)C)[N-]C(C)(C)C.Cl[Ti+](Cl)Cl
InChIInChI=1S/C13H25N2.3ClH.Ti/c1-10(14-12(3,4)5)9-11(2)15-13(6,7)8;;;;/h9H,1-8H3;3*1H;/q-1;;;;+4/p-3/b10-9-,15-11+;;;;
InChIKeyWWEHIYDUKYPCKA-ITOXVMFJSA-K
MW363.58 g/mol
LogP6.39
Rot. Bonds2

About tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)

tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) (PubChem CID 140501196) has the molecular formula C13H25Cl3N2Ti and a molecular weight of 363.58 g/mol. Its IUPAC name is tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+).

Molecular Properties

Compound Nametert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
PubChem CID140501196
Molecular FormulaC13H25Cl3N2Ti
Molecular Weight363.58 g/mol
Exact Mass362.06
IUPAC Nametert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
SMILESC/C(=C/C(C)=N/C(C)(C)C)[N-]C(C)(C)C.Cl[Ti+](Cl)Cl
InChIInChI=1S/C13H25N2.3ClH.Ti/c1-10(14-12(3,4)5)9-11(2)15-13(6,7)8;;;;/h9H,1-8H3;3*1H;/q-1;;;;+4/p-3/b10-9-,15-11+;;;;
InChIKeyWWEHIYDUKYPCKA-ITOXVMFJSA-K
XLogP6.39
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.58
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 140501280
lithium tert-butyl-[(E)-4-tert-butyliminopent-2-en-2-yl]azanide
CID 101481895
(E)-N-tert-butyl-4-tert-butylimino-N-dimethylalumanylpent-2-en-2-amine
CID 177598332

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The IUPAC name of tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) (CID 140501196) is tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+).
What is the SMILES notation for tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The canonical SMILES for tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) is C/C(=C/C(C)=N/C(C)(C)C)[N-]C(C)(C)C.Cl[Ti+](Cl)Cl.
What is the InChIKey of tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
The InChIKey is WWEHIYDUKYPCKA-ITOXVMFJSA-K. The full InChI is InChI=1S/C13H25N2.3ClH.Ti/c1-10(14-12(3,4)5)9-11(2)15-13(6,7)8;;;;/h9H,1-8H3;3*1H;/q-1;;;;+4/p-3/b10-9-,15-11+;;;;.
What are the key properties of tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)?
tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) has a molecular weight of 363.58 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-4-tert-butyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+) is sourced from PubChem (CID 140501196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).