4-aminobutyl(ethyl)tin(2+);methanolate

C8H21NO2Sn — CID 19359545

IUPAC4-aminobutyl(ethyl)tin(2+);methanolate
SMILESCC[Sn+2]CCCCN.C[O-].C[O-]
InChIInChI=1S/C4H10N.C2H5.2CH3O.Sn/c1-2-3-4-5;3*1-2;/h1-5H2;1H2,2H3;2*1H3;/q;;2*-1;+2
InChIKeyHPUCFBXANOZQJC-UHFFFAOYSA-N
MW281.97 g/mol
LogP-0.76
Rot. Bonds5

About 4-aminobutyl(ethyl)tin(2+);methanolate

4-aminobutyl(ethyl)tin(2+);methanolate (PubChem CID 19359545) has the molecular formula C8H21NO2Sn and a molecular weight of 281.97 g/mol. Its IUPAC name is 4-aminobutyl(ethyl)tin(2+);methanolate.

Molecular Properties

Compound Name4-aminobutyl(ethyl)tin(2+);methanolate
PubChem CID19359545
Molecular FormulaC8H21NO2Sn
Molecular Weight281.97 g/mol
Exact Mass283.06
IUPAC Name4-aminobutyl(ethyl)tin(2+);methanolate
SMILESCC[Sn+2]CCCCN.C[O-].C[O-]
InChIInChI=1S/C4H10N.C2H5.2CH3O.Sn/c1-2-3-4-5;3*1-2;/h1-5H2;1H2,2H3;2*1H3;/q;;2*-1;+2
InChIKeyHPUCFBXANOZQJC-UHFFFAOYSA-N
XLogP-0.76
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.97
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)
CID 19359690
hexane-1,6-diamine;methanamine
CID 174275715
bis(2-aminoethanesulfonate);dioctyltin(2+)
CID 175974039
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
ethanol;octane-1,8-diamine
CID 159247635
dotetracontan-1-amine
CID 14550497
octatriacontane-1,38-diamine
CID 54235792
azane;butane-1,4-diamine
CID 87378889
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225

Frequently Asked Questions

What is the IUPAC name of 4-aminobutyl(ethyl)tin(2+);methanolate?
The IUPAC name of 4-aminobutyl(ethyl)tin(2+);methanolate (CID 19359545) is 4-aminobutyl(ethyl)tin(2+);methanolate.
What is the SMILES notation for 4-aminobutyl(ethyl)tin(2+);methanolate?
The canonical SMILES for 4-aminobutyl(ethyl)tin(2+);methanolate is CC[Sn+2]CCCCN.C[O-].C[O-].
What is the InChIKey of 4-aminobutyl(ethyl)tin(2+);methanolate?
The InChIKey is HPUCFBXANOZQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N.C2H5.2CH3O.Sn/c1-2-3-4-5;3*1-2;/h1-5H2;1H2,2H3;2*1H3;/q;;2*-1;+2.
What are the key properties of 4-aminobutyl(ethyl)tin(2+);methanolate?
4-aminobutyl(ethyl)tin(2+);methanolate has a molecular weight of 281.97 g/mol, XLogP of -0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl(ethyl)tin(2+);methanolate is sourced from PubChem (CID 19359545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).