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

C12H23Cl2NTi — CID 87867188

IUPACN-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]N(C)C.[Ti+2]
InChIInChI=1S/C9H13.C3H8N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2)3;;;/h6H,1-4H3;1H2,2-3H3;2*1H;/q2*-1;;;+2
InChIKeyBJJPKLWSSAIKOD-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.90
Rot. Bonds

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

N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride (PubChem CID 87867188) has the molecular formula C12H23Cl2NTi and a molecular weight of 300.10 g/mol. Its IUPAC name is N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride.

Molecular Properties

Compound NameN-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
PubChem CID87867188
Molecular FormulaC12H23Cl2NTi
Molecular Weight300.10 g/mol
Exact Mass299.07
IUPAC NameN-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]N(C)C.[Ti+2]
InChIInChI=1S/C9H13.C3H8N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2)3;;;/h6H,1-4H3;1H2,2-3H3;2*1H;/q2*-1;;;+2
InChIKeyBJJPKLWSSAIKOD-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.90
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-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The IUPAC name of N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride (CID 87867188) is N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride.
What is the SMILES notation for N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The canonical SMILES for N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride is CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH2-]N(C)C.[Ti+2].
What is the InChIKey of N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
The InChIKey is BJJPKLWSSAIKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C3H8N.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2)3;;;/h6H,1-4H3;1H2,2-3H3;2*1H;/q2*-1;;;+2.
What are the key properties of N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride?
N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride has a molecular weight of 300.10 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dihydrochloride is sourced from PubChem (CID 87867188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).