dioxotitanium;2-(methylamino)ethanol

C3H9NO3Ti — CID 174872921

IUPACdioxotitanium;2-(methylamino)ethanol
SMILESCNCCO.O=[Ti]=O
InChIInChI=1S/C3H9NO.2O.Ti/c1-4-2-3-5;;;/h4-5H,2-3H2,1H3;;;
InChIKeyOCGGQTPQNAJXOZ-UHFFFAOYSA-N
MW154.98 g/mol
LogP-1.04
Rot. Bonds2

About dioxotitanium;2-(methylamino)ethanol

dioxotitanium;2-(methylamino)ethanol (PubChem CID 174872921) has the molecular formula C3H9NO3Ti and a molecular weight of 154.98 g/mol. Its IUPAC name is dioxotitanium;2-(methylamino)ethanol.

Molecular Properties

Compound Namedioxotitanium;2-(methylamino)ethanol
PubChem CID174872921
Molecular FormulaC3H9NO3Ti
Molecular Weight154.98 g/mol
Exact Mass155.01
IUPAC Namedioxotitanium;2-(methylamino)ethanol
SMILESCNCCO.O=[Ti]=O
InChIInChI=1S/C3H9NO.2O.Ti/c1-4-2-3-5;;;/h4-5H,2-3H2,1H3;;;
InChIKeyOCGGQTPQNAJXOZ-UHFFFAOYSA-N
XLogP-1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.98
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59962769
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CID 174353574
methane;2-(methylamino)ethanol
CID 158004537
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CID 87131288
bis(2-(methylamino)ethanol);nickel(2+);diacetate
CID 158242939
2-(methylamino)ethanol;oxalic acid
CID 11506516
bis(dihydroxy(oxo)phosphanium);2-(methylamino)ethanol
CID 88596466
azane;2-(methylamino)ethanol;sulfuric acid
CID 175379230
hexane-1,6-diol;2-(methylamino)ethanol
CID 18353571
dichlorozirconium;2-(methylamino)ethanol
CID 174434300
2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
2-(methylamino)ethanol;methyl hydrogen sulfate
CID 86001680

Frequently Asked Questions

What is the IUPAC name of dioxotitanium;2-(methylamino)ethanol?
The IUPAC name of dioxotitanium;2-(methylamino)ethanol (CID 174872921) is dioxotitanium;2-(methylamino)ethanol.
What is the SMILES notation for dioxotitanium;2-(methylamino)ethanol?
The canonical SMILES for dioxotitanium;2-(methylamino)ethanol is CNCCO.O=[Ti]=O.
What is the InChIKey of dioxotitanium;2-(methylamino)ethanol?
The InChIKey is OCGGQTPQNAJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.2O.Ti/c1-4-2-3-5;;;/h4-5H,2-3H2,1H3;;;.
What are the key properties of dioxotitanium;2-(methylamino)ethanol?
dioxotitanium;2-(methylamino)ethanol has a molecular weight of 154.98 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;2-(methylamino)ethanol is sourced from PubChem (CID 174872921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).