2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate

C12H23NO3Sn — CID 173288500

IUPAC2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate
SMILESCC(N)c1occc1CC[SnH+2].CC[O-].CC[O-]
InChIInChI=1S/C8H12NO.2C2H5O.Sn.H/c1-3-7-4-5-10-8(7)6(2)9;2*1-2-3;;/h4-6H,1,3,9H2,2H3;2*2H2,1H3;;/q;2*-1;+2;
InChIKeyXKLCBWGZLMFVKI-UHFFFAOYSA-N
MW348.03 g/mol
LogP-0.11
Rot. Bonds3

About 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate

2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate (PubChem CID 173288500) has the molecular formula C12H23NO3Sn and a molecular weight of 348.03 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate
PubChem CID173288500
Molecular FormulaC12H23NO3Sn
Molecular Weight348.03 g/mol
Exact Mass349.07
IUPAC Name2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate
SMILESCC(N)c1occc1CC[SnH+2].CC[O-].CC[O-]
InChIInChI=1S/C8H12NO.2C2H5O.Sn.H/c1-3-7-4-5-10-8(7)6(2)9;2*1-2-3;;/h4-6H,1,3,9H2,2H3;2*2H2,1H3;;/q;2*-1;+2;
InChIKeyXKLCBWGZLMFVKI-UHFFFAOYSA-N
XLogP-0.11
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate?
The IUPAC name of 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate (CID 173288500) is 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate.
What is the SMILES notation for 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate?
The canonical SMILES for 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate is CC(N)c1occc1CC[SnH+2].CC[O-].CC[O-].
What is the InChIKey of 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate?
The InChIKey is XKLCBWGZLMFVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO.2C2H5O.Sn.H/c1-3-7-4-5-10-8(7)6(2)9;2*1-2-3;;/h4-6H,1,3,9H2,2H3;2*2H2,1H3;;/q;2*-1;+2;.
What are the key properties of 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate?
2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate has a molecular weight of 348.03 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)furan-3-yl]ethyl-hydridotin(2+);ethanolate is sourced from PubChem (CID 173288500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).