ethanamine;propane;titanium(2+)

C8H21NTi — CID 158453580

IUPACethanamine;propane;titanium(2+)
SMILESCCN.C[CH-]C.C[CH-]C.[Ti+2]
InChIInChI=1S/2C3H7.C2H7N.Ti/c2*1-3-2;1-2-3;/h2*3H,1-2H3;2-3H2,1H3;/q2*-1;;+2
InChIKeyHEHJHJNOMJPFFC-UHFFFAOYSA-N
MW179.13 g/mol
LogP2.42
Rot. Bonds

About ethanamine;propane;titanium(2+)

ethanamine;propane;titanium(2+) (PubChem CID 158453580) has the molecular formula C8H21NTi and a molecular weight of 179.13 g/mol. Its IUPAC name is ethanamine;propane;titanium(2+).

Molecular Properties

Compound Nameethanamine;propane;titanium(2+)
PubChem CID158453580
Molecular FormulaC8H21NTi
Molecular Weight179.13 g/mol
Exact Mass179.12
IUPAC Nameethanamine;propane;titanium(2+)
SMILESCCN.C[CH-]C.C[CH-]C.[Ti+2]
InChIInChI=1S/2C3H7.C2H7N.Ti/c2*1-3-2;1-2-3;/h2*3H,1-2H3;2-3H2,1H3;/q2*-1;;+2
InChIKeyHEHJHJNOMJPFFC-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethanamine;propane;titanium(2+)?
The IUPAC name of ethanamine;propane;titanium(2+) (CID 158453580) is ethanamine;propane;titanium(2+).
What is the SMILES notation for ethanamine;propane;titanium(2+)?
The canonical SMILES for ethanamine;propane;titanium(2+) is CCN.C[CH-]C.C[CH-]C.[Ti+2].
What is the InChIKey of ethanamine;propane;titanium(2+)?
The InChIKey is HEHJHJNOMJPFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7.C2H7N.Ti/c2*1-3-2;1-2-3;/h2*3H,1-2H3;2-3H2,1H3;/q2*-1;;+2.
What are the key properties of ethanamine;propane;titanium(2+)?
ethanamine;propane;titanium(2+) has a molecular weight of 179.13 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;propane;titanium(2+) is sourced from PubChem (CID 158453580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).