carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium

C13H29NTi-6 — CID 174253394

IUPACcarbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium
SMILESCN(C)C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C5H5.C3H9N.5CH3.Ti/c1-2-4-5-3-1;1-4(2)3;;;;;;/h1-3H,4H2;1-3H3;5*1H3;/q-1;;5*-1;
InChIKeyDTRJWDPZQLYFDV-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.73
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium

carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium (PubChem CID 174253394) has the molecular formula C13H29NTi-6 and a molecular weight of 247.25 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium
PubChem CID174253394
Molecular FormulaC13H29NTi-6
Molecular Weight247.25 g/mol
Exact Mass247.18
IUPAC Namecarbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium
SMILESCN(C)C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti]
InChIInChI=1S/C5H5.C3H9N.5CH3.Ti/c1-2-4-5-3-1;1-4(2)3;;;;;;/h1-3H,4H2;1-3H3;5*1H3;/q-1;;5*-1;
InChIKeyDTRJWDPZQLYFDV-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.73
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

carbanide;cyclopenta-1,3-diene;N-methanidyl-N-methylmethanamine;titanium;dihydrochloride
CID 87101406
carbanide;cyclopenta-1,3-diene;propane;titanium
CID 174419240
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;cyclopenta-1,3-diene;N,N-dimethylethanamine;titanium;dihydrochloride
CID 87101474
cyclopenta-1,3-diene;hafnium;N-methanidyl-N-methylmethanamine
CID 174630903
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium?
The IUPAC name of carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium (CID 174253394) is carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium is CN(C)C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium?
The InChIKey is DTRJWDPZQLYFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3H9N.5CH3.Ti/c1-2-4-5-3-1;1-4(2)3;;;;;;/h1-3H,4H2;1-3H3;5*1H3;/q-1;;5*-1;.
What are the key properties of carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium?
carbanide;cyclopenta-1,3-diene;N,N-dimethylmethanamine;titanium has a molecular weight of 247.25 g/mol, XLogP of 3.73, 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,N-dimethylmethanamine;titanium is sourced from PubChem (CID 174253394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).