3-aminopropyltin(3+);ethanolate

C9H23NO3Sn — CID 159927858

IUPAC3-aminopropyltin(3+);ethanolate
SMILESCC[O-].CC[O-].CC[O-].NCCC[Sn+3]
InChIInChI=1S/C3H8N.3C2H5O.Sn/c1-2-3-4;3*1-2-3;/h1-4H2;3*2H2,1H3;/q;3*-1;+3
InChIKeyNZGHGKXAROLXJE-UHFFFAOYSA-N
MW312.00 g/mol
LogP-1.98
Rot. Bonds2

About 3-aminopropyltin(3+);ethanolate

3-aminopropyltin(3+);ethanolate (PubChem CID 159927858) has the molecular formula C9H23NO3Sn and a molecular weight of 312.00 g/mol. Its IUPAC name is 3-aminopropyltin(3+);ethanolate.

Molecular Properties

Compound Name3-aminopropyltin(3+);ethanolate
PubChem CID159927858
Molecular FormulaC9H23NO3Sn
Molecular Weight312.00 g/mol
Exact Mass313.07
IUPAC Name3-aminopropyltin(3+);ethanolate
SMILESCC[O-].CC[O-].CC[O-].NCCC[Sn+3]
InChIInChI=1S/C3H8N.3C2H5O.Sn/c1-2-3-4;3*1-2-3;/h1-4H2;3*2H2,1H3;/q;3*-1;+3
InChIKeyNZGHGKXAROLXJE-UHFFFAOYSA-N
XLogP-1.98
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.00
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyltin(3+);ethanolate?
The IUPAC name of 3-aminopropyltin(3+);ethanolate (CID 159927858) is 3-aminopropyltin(3+);ethanolate.
What is the SMILES notation for 3-aminopropyltin(3+);ethanolate?
The canonical SMILES for 3-aminopropyltin(3+);ethanolate is CC[O-].CC[O-].CC[O-].NCCC[Sn+3].
What is the InChIKey of 3-aminopropyltin(3+);ethanolate?
The InChIKey is NZGHGKXAROLXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N.3C2H5O.Sn/c1-2-3-4;3*1-2-3;/h1-4H2;3*2H2,1H3;/q;3*-1;+3.
What are the key properties of 3-aminopropyltin(3+);ethanolate?
3-aminopropyltin(3+);ethanolate has a molecular weight of 312.00 g/mol, XLogP of -1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyltin(3+);ethanolate is sourced from PubChem (CID 159927858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).