CID 174448743

C8H13N2Sn+ — CID 174448743

IUPAC—
SMILESC[N+](C)(C)c1ccccn1.[Sn]
InChIInChI=1S/C8H13N2.Sn/c1-10(2,3)8-6-4-5-7-9-8;/h4-7H,1-3H3;/q+1;
InChIKeyXKYIQPIZTYXVST-UHFFFAOYSA-N
MW255.92 g/mol
LogP0.90
Rot. Bonds1

About CID 174448743

CID 174448743 (PubChem CID 174448743) has the molecular formula C8H13N2Sn+ and a molecular weight of 255.92 g/mol.

Molecular Properties

Compound NameCID 174448743
PubChem CID174448743
Molecular FormulaC8H13N2Sn+
Molecular Weight255.92 g/mol
Exact Mass257.01
IUPAC Name—
SMILESC[N+](C)(C)c1ccccn1.[Sn]
InChIInChI=1S/C8H13N2.Sn/c1-10(2,3)8-6-4-5-7-9-8;/h4-7H,1-3H3;/q+1;
InChIKeyXKYIQPIZTYXVST-UHFFFAOYSA-N
XLogP0.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.92
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 56641963
2-ethylpyridine;sulfane
CID 67363352
dichloroplatinum;bis(2-methylpyridine)
CID 4034453
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
azane;2-chloropyridine
CID 87126107
methanidyl-dimethyl-(pyridin-2-ylmethyl)azanium
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Frequently Asked Questions

What is the IUPAC name of CID 174448743?
The IUPAC name of CID 174448743 (CID 174448743) is not available.
What is the SMILES notation for CID 174448743?
The canonical SMILES for CID 174448743 is C[N+](C)(C)c1ccccn1.[Sn].
What is the InChIKey of CID 174448743?
The InChIKey is XKYIQPIZTYXVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2.Sn/c1-10(2,3)8-6-4-5-7-9-8;/h4-7H,1-3H3;/q+1;.
What are the key properties of CID 174448743?
CID 174448743 has a molecular weight of 255.92 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174448743 is sourced from PubChem (CID 174448743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).