carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride

C12H27Cl2NTi-6 — CID 87101406

IUPACcarbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[CH2-]N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C5H5.C3H8N.4CH3.2ClH.Ti/c1-2-4-5-3-1;1-4(2)3;;;;;;;/h1-3H,4H2;1H2,2-3H3;4*1H3;2*1H;/q6*-1;;;
InChIKeyOQGKSIHROHMOGB-UHFFFAOYSA-N
MW304.13 g/mol
LogP4.29
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride

carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride (PubChem CID 87101406) has the molecular formula C12H27Cl2NTi-6 and a molecular weight of 304.13 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride
PubChem CID87101406
Molecular FormulaC12H27Cl2NTi-6
Molecular Weight304.13 g/mol
Exact Mass303.10
IUPAC Namecarbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[CH2-]N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C5H5.C3H8N.4CH3.2ClH.Ti/c1-2-4-5-3-1;1-4(2)3;;;;;;;/h1-3H,4H2;1H2,2-3H3;4*1H3;2*1H;/q6*-1;;;
InChIKeyOQGKSIHROHMOGB-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
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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Related Compounds

cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine
CID 174630903
carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium
CID 174253394
carbanide;cyclopenta-1,3-diene;N,N-dimethylethanamine;titanium;dihydrochloride
CID 87101474
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;cyclopenta-1,3-diene;propane;titanium
CID 174419240
benzene;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 174656990
tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 175060057
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride?
The IUPAC name of carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride (CID 87101406) is carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride is Cl.Cl.[C-]1=CC=CC1.[CH2-]N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Ti].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride?
The InChIKey is OQGKSIHROHMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3H8N.4CH3.2ClH.Ti/c1-2-4-5-3-1;1-4(2)3;;;;;;;/h1-3H,4H2;1H2,2-3H3;4*1H3;2*1H;/q6*-1;;;.
What are the key properties of carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride?
carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride has a molecular weight of 304.13 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride is sourced from PubChem (CID 87101406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).