5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine

C9H23NS2Sn — CID 139812992

IUPAC5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine
SMILESCC[Sn](CCCCCN)(SC)SC
InChIInChI=1S/C5H12N.C2H5.2CH4S.Sn/c1-2-3-4-5-6;3*1-2;/h1-6H2;1H2,2H3;2*2H,1H3;/q;;;;+2/p-2
InChIKeyGBOOIRUYOQJCLU-UHFFFAOYSA-L
MW328.14 g/mol
LogP3.30
Rot. Bonds8

About 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine

5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine (PubChem CID 139812992) has the molecular formula C9H23NS2Sn and a molecular weight of 328.14 g/mol. Its IUPAC name is 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine.

Molecular Properties

Compound Name5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine
PubChem CID139812992
Molecular FormulaC9H23NS2Sn
Molecular Weight328.14 g/mol
Exact Mass329.03
IUPAC Name5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine
SMILESCC[Sn](CCCCCN)(SC)SC
InChIInChI=1S/C5H12N.C2H5.2CH4S.Sn/c1-2-3-4-5-6;3*1-2;/h1-6H2;1H2,2H3;2*2H,1H3;/q;;;;+2/p-2
InChIKeyGBOOIRUYOQJCLU-UHFFFAOYSA-L
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 53.30
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-[dibromo(ethyl)stannyl]butan-1-amine
CID 139813114
hexane-1,6-diamine;methanamine
CID 174275715
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
tridecan-1-amine;undecan-1-amine
CID 23045943
ethanol;octane-1,8-diamine
CID 159247635
dotetracontan-1-amine
CID 14550497
sodium;hexane-1,6-diamine;hydroxide;hydrate
CID 174844737

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine?
The IUPAC name of 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine (CID 139812992) is 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine.
What is the SMILES notation for 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine?
The canonical SMILES for 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine is CC[Sn](CCCCCN)(SC)SC.
What is the InChIKey of 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine?
The InChIKey is GBOOIRUYOQJCLU-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12N.C2H5.2CH4S.Sn/c1-2-3-4-5-6;3*1-2;/h1-6H2;1H2,2H3;2*2H,1H3;/q;;;;+2/p-2.
What are the key properties of 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine?
5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine has a molecular weight of 328.14 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-bis(methylsulfanyl)stannyl]pentan-1-amine is sourced from PubChem (CID 139812992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).