tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium

C16H36N3Ti- — CID 173208598

IUPACtris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CNC.CNC.CNC.[Ti]
InChIInChI=1S/C10H15.3C2H7N.Ti/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*3H,1-2H3;/q-1;;;;
InChIKeyNFVGRZFUWZIGSG-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.62
Rot. Bonds

About tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium

tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium (PubChem CID 173208598) has the molecular formula C16H36N3Ti- and a molecular weight of 318.35 g/mol. Its IUPAC name is tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Nametris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
PubChem CID173208598
Molecular FormulaC16H36N3Ti-
Molecular Weight318.35 g/mol
Exact Mass318.24
IUPAC Nametris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CNC.CNC.CNC.[Ti]
InChIInChI=1S/C10H15.3C2H7N.Ti/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*3H,1-2H3;/q-1;;;;
InChIKeyNFVGRZFUWZIGSG-UHFFFAOYSA-N
XLogP2.62
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The IUPAC name of tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium (CID 173208598) is tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium is CC1=[C-]C(C)(C)C(C)=C1C.CNC.CNC.CNC.[Ti].
What is the InChIKey of tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The InChIKey is NFVGRZFUWZIGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3C2H7N.Ti/c1-7-6-10(4,5)9(3)8(7)2;3*1-3-2;/h1-5H3;3*3H,1-2H3;/q-1;;;;.
What are the key properties of tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium has a molecular weight of 318.35 g/mol, XLogP of 2.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-methylmethanamine);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 173208598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).