1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene

C22H37NSiTi — CID 150439140

IUPAC1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene
SMILESC[CH-]C.Cc1cc[c-](C)c1C.[H][C-]=[SiH2].[NH-]C12CC3CC(CC(C3)C1)C2.[Ti+4]
InChIInChI=1S/C10H16N.C8H11.C3H7.CH3Si.Ti/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-6-4-5-7(2)8(6)3;1-3-2;1-2;/h7-9,11H,1-6H2;4-5H,1-3H3;3H,1-2H3;1H,2H2;/q4*-1;+4
InChIKeyHLJZDFSREXFWFX-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.49
Rot. Bonds

About 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene

1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene (PubChem CID 150439140) has the molecular formula C22H37NSiTi and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene
PubChem CID150439140
Molecular FormulaC22H37NSiTi
Molecular Weight391.50 g/mol
Exact Mass391.22
IUPAC Name1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene
SMILESC[CH-]C.Cc1cc[c-](C)c1C.[H][C-]=[SiH2].[NH-]C12CC3CC(CC(C3)C1)C2.[Ti+4]
InChIInChI=1S/C10H16N.C8H11.C3H7.CH3Si.Ti/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-6-4-5-7(2)8(6)3;1-3-2;1-2;/h7-9,11H,1-6H2;4-5H,1-3H3;3H,1-2H3;1H,2H2;/q4*-1;+4
InChIKeyHLJZDFSREXFWFX-UHFFFAOYSA-N
XLogP5.49
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene?
The IUPAC name of 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene (CID 150439140) is 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene?
The canonical SMILES for 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene is C[CH-]C.Cc1cc[c-](C)c1C.[H][C-]=[SiH2].[NH-]C12CC3CC(CC(C3)C1)C2.[Ti+4].
What is the InChIKey of 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene?
The InChIKey is HLJZDFSREXFWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.C8H11.C3H7.CH3Si.Ti/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-6-4-5-7(2)8(6)3;1-3-2;1-2;/h7-9,11H,1-6H2;4-5H,1-3H3;3H,1-2H3;1H,2H2;/q4*-1;+4.
What are the key properties of 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene?
1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene has a molecular weight of 391.50 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylazanide;methanidylidenesilane;propane;titanium(4+);1,2,5-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 150439140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).