tris(butan-2-olate);4-(ethylamino)butyltin(3+)

C18H41NO3Sn — CID 19359967

IUPACtris(butan-2-olate);4-(ethylamino)butyltin(3+)
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCNCCCC[Sn+3]
InChIInChI=1S/C6H14N.3C4H9O.Sn/c1-3-5-6-7-4-2;3*1-3-4(2)5;/h7H,1,3-6H2,2H3;3*4H,3H2,1-2H3;/q;3*-1;+3
InChIKeyPCNIVEDOGFOWJE-UHFFFAOYSA-N
MW438.24 g/mol
LogP1.40
Rot. Bonds8

About tris(butan-2-olate);4-(ethylamino)butyltin(3+)

tris(butan-2-olate);4-(ethylamino)butyltin(3+) (PubChem CID 19359967) has the molecular formula C18H41NO3Sn and a molecular weight of 438.24 g/mol. Its IUPAC name is tris(butan-2-olate);4-(ethylamino)butyltin(3+).

Molecular Properties

Compound Nametris(butan-2-olate);4-(ethylamino)butyltin(3+)
PubChem CID19359967
Molecular FormulaC18H41NO3Sn
Molecular Weight438.24 g/mol
Exact Mass439.21
IUPAC Nametris(butan-2-olate);4-(ethylamino)butyltin(3+)
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCNCCCC[Sn+3]
InChIInChI=1S/C6H14N.3C4H9O.Sn/c1-3-5-6-7-4-2;3*1-3-4(2)5;/h7H,1,3-6H2,2H3;3*4H,3H2,1-2H3;/q;3*-1;+3
InChIKeyPCNIVEDOGFOWJE-UHFFFAOYSA-N
XLogP1.40
TPSA81.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyl-9-methylundecan-1-amine
CID 148817249
N-ethyl-11-methyltridecan-1-amine
CID 167239915
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine
CID 166714486
N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
CID 58965152
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747

Frequently Asked Questions

What is the IUPAC name of tris(butan-2-olate);4-(ethylamino)butyltin(3+)?
The IUPAC name of tris(butan-2-olate);4-(ethylamino)butyltin(3+) (CID 19359967) is tris(butan-2-olate);4-(ethylamino)butyltin(3+).
What is the SMILES notation for tris(butan-2-olate);4-(ethylamino)butyltin(3+)?
The canonical SMILES for tris(butan-2-olate);4-(ethylamino)butyltin(3+) is CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCNCCCC[Sn+3].
What is the InChIKey of tris(butan-2-olate);4-(ethylamino)butyltin(3+)?
The InChIKey is PCNIVEDOGFOWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.3C4H9O.Sn/c1-3-5-6-7-4-2;3*1-3-4(2)5;/h7H,1,3-6H2,2H3;3*4H,3H2,1-2H3;/q;3*-1;+3.
What are the key properties of tris(butan-2-olate);4-(ethylamino)butyltin(3+)?
tris(butan-2-olate);4-(ethylamino)butyltin(3+) has a molecular weight of 438.24 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-2-olate);4-(ethylamino)butyltin(3+) is sourced from PubChem (CID 19359967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).