N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)

C12H35N3O3Ti+3 — CID 87355408

IUPACN,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)
SMILESCCN(C)C.CC[N+](C)(C)O.CC[N+](C)(C)O.O=[Ti+]
InChIInChI=1S/2C4H12NO.C4H11N.O.Ti/c2*1-4-5(2,3)6;1-4-5(2)3;;/h2*6H,4H2,1-3H3;4H2,1-3H3;;/q2*+1;;;+1
InChIKeyHPAURHUMUPIHDV-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.39
Rot. Bonds3

About N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)

N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+) (PubChem CID 87355408) has the molecular formula C12H35N3O3Ti+3 and a molecular weight of 317.30 g/mol. Its IUPAC name is N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+).

Molecular Properties

Compound NameN,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)
PubChem CID87355408
Molecular FormulaC12H35N3O3Ti+3
Molecular Weight317.30 g/mol
Exact Mass317.21
IUPAC NameN,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)
SMILESCCN(C)C.CC[N+](C)(C)O.CC[N+](C)(C)O.O=[Ti+]
InChIInChI=1S/2C4H12NO.C4H11N.O.Ti/c2*1-4-5(2,3)6;1-4-5(2)3;;/h2*6H,4H2,1-3H3;4H2,1-3H3;;/q2*+1;;;+1
InChIKeyHPAURHUMUPIHDV-UHFFFAOYSA-N
XLogP1.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(N,N-dimethylethanamine);ethyl-hydroxy-dimethylazanium;oxotitanium(2+);propan-2-ol
CID 87118685
azane;N,N-dimethylethanamine
CID 91593223
bis(N,N-dimethylethanamine);methane
CID 160872665
N,N-dimethylethanamine;hydroiodide
CID 173048873
N,N-dimethylethanamine;methane
CID 159924855
N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium
CID 173434737
carbon dioxide;N,N-dimethylethanamine
CID 158904946
N,N-dimethylethanamine;N,N-dimethylmethanamine;ethane
CID 142201174
N,N-dimethylethanamine;2-methylpropane
CID 145274023
N,N-diethylethanamine;N,N-dimethylethanamine
CID 87629474
N,N-dimethylethanamine;ethane;methanamine
CID 145153553
N,N-dimethylethanamine;triethyl-[2-(trimethylazaniumyl)ethyl]azanium;difluoride;hydrofluoride
CID 173385130

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)?
The IUPAC name of N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+) (CID 87355408) is N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+).
What is the SMILES notation for N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)?
The canonical SMILES for N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+) is CCN(C)C.CC[N+](C)(C)O.CC[N+](C)(C)O.O=[Ti+].
What is the InChIKey of N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)?
The InChIKey is HPAURHUMUPIHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12NO.C4H11N.O.Ti/c2*1-4-5(2,3)6;1-4-5(2)3;;/h2*6H,4H2,1-3H3;4H2,1-3H3;;/q2*+1;;;+1.
What are the key properties of N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+)?
N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+) has a molecular weight of 317.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;bis(ethyl-hydroxy-dimethylazanium);oxotitanium(1+) is sourced from PubChem (CID 87355408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).