CID 100959512

C21H24NSn — CID 100959512

IUPAC—
SMILESCN(C)Cc1[c]cccc1.[H][H].[Sn].[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/C9H12N.2C6H5.Sn.H2/c1-10(2)8-9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;;/h3-6H,8H2,1-2H3;2*1-5H;;1H
InChIKeyFZQPDFUAJCJAPS-UHFFFAOYSA-N
MW409.14 g/mol
LogP4.39
Rot. Bonds2

About CID 100959512

CID 100959512 (PubChem CID 100959512) has the molecular formula C21H24NSn and a molecular weight of 409.14 g/mol.

Molecular Properties

Compound NameCID 100959512
PubChem CID100959512
Molecular FormulaC21H24NSn
Molecular Weight409.14 g/mol
Exact Mass410.09
IUPAC Name—
SMILESCN(C)Cc1[c]cccc1.[H][H].[Sn].[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/C9H12N.2C6H5.Sn.H2/c1-10(2)8-9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;;/h3-6H,8H2,1-2H3;2*1-5H;;1H
InChIKeyFZQPDFUAJCJAPS-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.14
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 100959512?
The IUPAC name of CID 100959512 (CID 100959512) is not available.
What is the SMILES notation for CID 100959512?
The canonical SMILES for CID 100959512 is CN(C)Cc1[c]cccc1.[H][H].[Sn].[c]1ccccc1.[c]1ccccc1.
What is the InChIKey of CID 100959512?
The InChIKey is FZQPDFUAJCJAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.2C6H5.Sn.H2/c1-10(2)8-9-6-4-3-5-7-9;2*1-2-4-6-5-3-1;;/h3-6H,8H2,1-2H3;2*1-5H;;1H.
What are the key properties of CID 100959512?
CID 100959512 has a molecular weight of 409.14 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100959512 is sourced from PubChem (CID 100959512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).