tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)

C16H31N5OTi — CID 139107527

IUPACtris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)
SMILESC(=N/C[C@H]1CCCO1)\c1ccc[n-]1.C[N-]C.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C10H13N2O.3C2H6N.Ti/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10;3*1-3-2;/h1,3,5,7,10H,2,4,6,8H2;3*1-2H3;/q4*-1;+4/b11-7+;;;;/t10-;;;;/m1..../s1
InChIKeyRJPQNONTKAMFBA-GTDAADPOSA-N
MW357.33 g/mol
LogP3.10
Rot. Bonds3

About tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)

tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+) (PubChem CID 139107527) has the molecular formula C16H31N5OTi and a molecular weight of 357.33 g/mol. Its IUPAC name is tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)
PubChem CID139107527
Molecular FormulaC16H31N5OTi
Molecular Weight357.33 g/mol
Exact Mass357.20
IUPAC Nametris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)
SMILESC(=N/C[C@H]1CCCO1)\c1ccc[n-]1.C[N-]C.C[N-]C.C[N-]C.[Ti+4]
InChIInChI=1S/C10H13N2O.3C2H6N.Ti/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10;3*1-3-2;/h1,3,5,7,10H,2,4,6,8H2;3*1-2H3;/q4*-1;+4/b11-7+;;;;/t10-;;;;/m1..../s1
InChIKeyRJPQNONTKAMFBA-GTDAADPOSA-N
XLogP3.10
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)?
The IUPAC name of tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+) (CID 139107527) is tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+).
What is the SMILES notation for tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)?
The canonical SMILES for tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+) is C(=N/C[C@H]1CCCO1)\c1ccc[n-]1.C[N-]C.C[N-]C.C[N-]C.[Ti+4].
What is the InChIKey of tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)?
The InChIKey is RJPQNONTKAMFBA-GTDAADPOSA-N. The full InChI is InChI=1S/C10H13N2O.3C2H6N.Ti/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10;3*1-3-2;/h1,3,5,7,10H,2,4,6,8H2;3*1-2H3;/q4*-1;+4/b11-7+;;;;/t10-;;;;/m1..../s1.
What are the key properties of tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+)?
tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+) has a molecular weight of 357.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);N-[[(2R)-oxolan-2-yl]methyl]-1-pyrrol-1-id-2-ylmethanimine;titanium(4+) is sourced from PubChem (CID 139107527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).