CID 131664046

C17H35NSn — CID 131664046

IUPAC—
SMILESCCCC.CCCC.CCCC.[Sn].c1ccncc1
InChIInChI=1S/C5H5N.3C4H10.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-5H;3*3-4H2,1-2H3;
InChIKeyFXQGOZOWJNKLBB-UHFFFAOYSA-N
MW372.19 g/mol
LogP6.12
Rot. Bonds3

About CID 131664046

CID 131664046 (PubChem CID 131664046) has the molecular formula C17H35NSn and a molecular weight of 372.19 g/mol.

Molecular Properties

Compound NameCID 131664046
PubChem CID131664046
Molecular FormulaC17H35NSn
Molecular Weight372.19 g/mol
Exact Mass373.18
IUPAC Name—
SMILESCCCC.CCCC.CCCC.[Sn].c1ccncc1
InChIInChI=1S/C5H5N.3C4H10.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-5H;3*3-4H2,1-2H3;
InChIKeyFXQGOZOWJNKLBB-UHFFFAOYSA-N
XLogP6.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.19
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 131664046?
The IUPAC name of CID 131664046 (CID 131664046) is not available.
What is the SMILES notation for CID 131664046?
The canonical SMILES for CID 131664046 is CCCC.CCCC.CCCC.[Sn].c1ccncc1.
What is the InChIKey of CID 131664046?
The InChIKey is FXQGOZOWJNKLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H10.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-5H;3*3-4H2,1-2H3;.
What are the key properties of CID 131664046?
CID 131664046 has a molecular weight of 372.19 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131664046 is sourced from PubChem (CID 131664046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).