ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)

C15H36NO3Ti — CID 174499049

IUPACethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)
SMILESC=C[CH2-].C=C[CH2-].CCO.CCO.CCO.[CH2-]CCN.[Ti+3]
InChIInChI=1S/C3H8N.2C3H5.3C2H6O.Ti/c1-2-3-4;2*1-3-2;3*1-2-3;/h1-4H2;2*3H,1-2H2;3*3H,2H2,1H3;/q3*-1;;;;+3
InChIKeyIXGRTVREMSCKJD-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.18
Rot. Bonds1

About ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)

ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+) (PubChem CID 174499049) has the molecular formula C15H36NO3Ti and a molecular weight of 326.32 g/mol. Its IUPAC name is ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+).

Molecular Properties

Compound Nameethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)
PubChem CID174499049
Molecular FormulaC15H36NO3Ti
Molecular Weight326.32 g/mol
Exact Mass326.22
IUPAC Nameethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)
SMILESC=C[CH2-].C=C[CH2-].CCO.CCO.CCO.[CH2-]CCN.[Ti+3]
InChIInChI=1S/C3H8N.2C3H5.3C2H6O.Ti/c1-2-3-4;2*1-3-2;3*1-2-3;/h1-4H2;2*3H,1-2H2;3*3H,2H2,1H3;/q3*-1;;;;+3
InChIKeyIXGRTVREMSCKJD-UHFFFAOYSA-N
XLogP2.18
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)?
The IUPAC name of ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+) (CID 174499049) is ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+).
What is the SMILES notation for ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)?
The canonical SMILES for ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+) is C=C[CH2-].C=C[CH2-].CCO.CCO.CCO.[CH2-]CCN.[Ti+3].
What is the InChIKey of ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)?
The InChIKey is IXGRTVREMSCKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N.2C3H5.3C2H6O.Ti/c1-2-3-4;2*1-3-2;3*1-2-3;/h1-4H2;2*3H,1-2H2;3*3H,2H2,1H3;/q3*-1;;;;+3.
What are the key properties of ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+)?
ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+) has a molecular weight of 326.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;propan-1-amine;bis(prop-1-ene);titanium(3+) is sourced from PubChem (CID 174499049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).