bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)

C29H41N5Ti — CID 139104574

IUPACbis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)
SMILESC[N-]C.C[N-]C.Cc1cc(C)cc([N-]CC(C)(C[N-]c2cc(C)cc(C)c2)c2ccccn2)c1.[Ti+4]
InChIInChI=1S/C25H29N3.2C2H6N.Ti/c1-18-10-19(2)13-22(12-18)27-16-25(5,24-8-6-7-9-26-24)17-28-23-14-20(3)11-21(4)15-23;2*1-3-2;/h6-15H,16-17H2,1-5H3;2*1-2H3;/q-2;2*-1;+4
InChIKeyIDWOLTIGMLDXQW-UHFFFAOYSA-N
MW507.55 g/mol
LogP8.22
Rot. Bonds7

About bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)

bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+) (PubChem CID 139104574) has the molecular formula C29H41N5Ti and a molecular weight of 507.55 g/mol. Its IUPAC name is bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+).

Molecular Properties

Compound Namebis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)
PubChem CID139104574
Molecular FormulaC29H41N5Ti
Molecular Weight507.55 g/mol
Exact Mass507.28
IUPAC Namebis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)
SMILESC[N-]C.C[N-]C.Cc1cc(C)cc([N-]CC(C)(C[N-]c2cc(C)cc(C)c2)c2ccccn2)c1.[Ti+4]
InChIInChI=1S/C25H29N3.2C2H6N.Ti/c1-18-10-19(2)13-22(12-18)27-16-25(5,24-8-6-7-9-26-24)17-28-23-14-20(3)11-21(4)15-23;2*1-3-2;/h6-15H,16-17H2,1-5H3;2*1-2H3;/q-2;2*-1;+4
InChIKeyIDWOLTIGMLDXQW-UHFFFAOYSA-N
XLogP8.22
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+) with MolForge

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Related Compounds

2-[2-(3-methylphenyl)propan-2-yl]pyridine
CID 130252856
(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-2-amine
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tert-butyliminotitanium(2+);(2-methyl-2-pyridin-2-yl-3-trimethylsilylazanidylpropyl)-trimethylsilylazanide;pyridine
CID 11060238
3,6-bis(2-pyridin-2-ylpropan-2-yl)pyridazine
CID 143616932
3-methyl-3-pyridin-2-ylpentan-1-ol
CID 144773779
2-tert-butylpyridine;ethane;methane
CID 143332153
2-(2-methyl-2-pyridin-2-ylbutyl)propanedioic acid
CID 142789302
2-(2-ethoxy-3,3-dimethylbutan-2-yl)pyridine
CID 146397041
(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-pyridin-2-ylpropanoic acid
CID 18663499
2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
CID 146396997
2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol
CID 79047415
CID 162723245
CID 162723245

Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)?
The IUPAC name of bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+) (CID 139104574) is bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+).
What is the SMILES notation for bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)?
The canonical SMILES for bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+) is C[N-]C.C[N-]C.Cc1cc(C)cc([N-]CC(C)(C[N-]c2cc(C)cc(C)c2)c2ccccn2)c1.[Ti+4].
What is the InChIKey of bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)?
The InChIKey is IDWOLTIGMLDXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3.2C2H6N.Ti/c1-18-10-19(2)13-22(12-18)27-16-25(5,24-8-6-7-9-26-24)17-28-23-14-20(3)11-21(4)15-23;2*1-3-2;/h6-15H,16-17H2,1-5H3;2*1-2H3;/q-2;2*-1;+4.
What are the key properties of bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+)?
bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+) has a molecular weight of 507.55 g/mol, XLogP of 8.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanide);(3,5-dimethylphenyl)-[3-(3,5-dimethylphenyl)azanidyl-2-methyl-2-pyridin-2-ylpropyl]azanide;titanium(4+) is sourced from PubChem (CID 139104574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).