N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride

C13H25Cl2NTi — CID 87867240

IUPACN,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[CH-]N(C)C.Cl.Cl.[Ti+2]
InChIInChI=1S/C9H13.C4H10N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5(2)3;;;/h6H,1-4H3;4H,1-3H3;2*1H;/q2*-1;;;+2
InChIKeyKZRAMSSYSCDEGV-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.29
Rot. Bonds1

About N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride

N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride (PubChem CID 87867240) has the molecular formula C13H25Cl2NTi and a molecular weight of 314.12 g/mol. Its IUPAC name is N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride.

Molecular Properties

Compound NameN,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
PubChem CID87867240
Molecular FormulaC13H25Cl2NTi
Molecular Weight314.12 g/mol
Exact Mass313.08
IUPAC NameN,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[CH-]N(C)C.Cl.Cl.[Ti+2]
InChIInChI=1S/C9H13.C4H10N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5(2)3;;;/h6H,1-4H3;4H,1-3H3;2*1H;/q2*-1;;;+2
InChIKeyKZRAMSSYSCDEGV-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The IUPAC name of N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride (CID 87867240) is N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride.
What is the SMILES notation for N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The canonical SMILES for N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride is CC1=[C-]C(C)C(C)=C1C.C[CH-]N(C)C.Cl.Cl.[Ti+2].
What is the InChIKey of N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The InChIKey is KZRAMSSYSCDEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C4H10N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4-5(2)3;;;/h6H,1-4H3;4H,1-3H3;2*1H;/q2*-1;;;+2.
What are the key properties of N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride has a molecular weight of 314.12 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride is sourced from PubChem (CID 87867240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).