azanide;butane;titanium(2+)

C4H11NTi — CID 174478901

IUPACazanide;butane;titanium(2+)
SMILESC[CH-]CC.[NH2-].[Ti+2]
InChIInChI=1S/C4H9.H2N.Ti/c1-3-4-2;;/h3H,4H2,1-2H3;1H2;/q2*-1;+2
InChIKeyPNUFACFSOXJLOB-UHFFFAOYSA-N
MW121.01 g/mol
LogP2.34
Rot. Bonds1

About azanide;butane;titanium(2+)

azanide;butane;titanium(2+) (PubChem CID 174478901) has the molecular formula C4H11NTi and a molecular weight of 121.01 g/mol. Its IUPAC name is azanide;butane;titanium(2+).

Molecular Properties

Compound Nameazanide;butane;titanium(2+)
PubChem CID174478901
Molecular FormulaC4H11NTi
Molecular Weight121.01 g/mol
Exact Mass121.04
IUPAC Nameazanide;butane;titanium(2+)
SMILESC[CH-]CC.[NH2-].[Ti+2]
InChIInChI=1S/C4H9.H2N.Ti/c1-3-4-2;;/h3H,4H2,1-2H3;1H2;/q2*-1;+2
InChIKeyPNUFACFSOXJLOB-UHFFFAOYSA-N
XLogP2.34
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.01
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 azanide;butane;titanium(2+)?
The IUPAC name of azanide;butane;titanium(2+) (CID 174478901) is azanide;butane;titanium(2+).
What is the SMILES notation for azanide;butane;titanium(2+)?
The canonical SMILES for azanide;butane;titanium(2+) is C[CH-]CC.[NH2-].[Ti+2].
What is the InChIKey of azanide;butane;titanium(2+)?
The InChIKey is PNUFACFSOXJLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.H2N.Ti/c1-3-4-2;;/h3H,4H2,1-2H3;1H2;/q2*-1;+2.
What are the key properties of azanide;butane;titanium(2+)?
azanide;butane;titanium(2+) has a molecular weight of 121.01 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;butane;titanium(2+) is sourced from PubChem (CID 174478901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).