CID 100985704

C15H28NSn — CID 100985704

IUPAC—
SMILES[CH2]CCC.[CH2]CCC.[CH2]Cc1ccccn1.[H][H].[Sn]
InChIInChI=1S/C7H8N.2C4H9.Sn.H2/c1-2-7-5-3-4-6-8-7;2*1-3-4-2;;/h3-6H,1-2H2;2*1,3-4H2,2H3;;1H
InChIKeyRPIFDTNRSDNKCW-UHFFFAOYSA-N
MW341.11 g/mol
LogP4.56
Rot. Bonds3

About CID 100985704

CID 100985704 (PubChem CID 100985704) has the molecular formula C15H28NSn and a molecular weight of 341.11 g/mol.

Molecular Properties

Compound NameCID 100985704
PubChem CID100985704
Molecular FormulaC15H28NSn
Molecular Weight341.11 g/mol
Exact Mass342.12
IUPAC Name—
SMILES[CH2]CCC.[CH2]CCC.[CH2]Cc1ccccn1.[H][H].[Sn]
InChIInChI=1S/C7H8N.2C4H9.Sn.H2/c1-2-7-5-3-4-6-8-7;2*1-3-4-2;;/h3-6H,1-2H2;2*1,3-4H2,2H3;;1H
InChIKeyRPIFDTNRSDNKCW-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 100985704?
The IUPAC name of CID 100985704 (CID 100985704) is not available.
What is the SMILES notation for CID 100985704?
The canonical SMILES for CID 100985704 is [CH2]CCC.[CH2]CCC.[CH2]Cc1ccccn1.[H][H].[Sn].
What is the InChIKey of CID 100985704?
The InChIKey is RPIFDTNRSDNKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.2C4H9.Sn.H2/c1-2-7-5-3-4-6-8-7;2*1-3-4-2;;/h3-6H,1-2H2;2*1,3-4H2,2H3;;1H.
What are the key properties of CID 100985704?
CID 100985704 has a molecular weight of 341.11 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100985704 is sourced from PubChem (CID 100985704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).