N,N-diethyl-1-tributylstannyloxyethanamine

C18H41NOSn — CID 22757043

IUPACN,N-diethyl-1-tributylstannyloxyethanamine
SMILESCCCC[Sn](CCCC)(CCCC)OC(C)N(CC)CC
InChIInChI=1S/C6H14NO.3C4H9.Sn/c1-4-7(5-2)6(3)8;3*1-3-4-2;/h6H,4-5H2,1-3H3;3*1,3-4H2,2H3;/q-1;;;;+1
InChIKeyJWOLBVKDBJEDTE-UHFFFAOYSA-N
MW406.24 g/mol
LogP6.04
Rot. Bonds14

About N,N-diethyl-1-tributylstannyloxyethanamine

N,N-diethyl-1-tributylstannyloxyethanamine (PubChem CID 22757043) has the molecular formula C18H41NOSn and a molecular weight of 406.24 g/mol. Its IUPAC name is N,N-diethyl-1-tributylstannyloxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-tributylstannyloxyethanamine
PubChem CID22757043
Molecular FormulaC18H41NOSn
Molecular Weight406.24 g/mol
Exact Mass407.22
IUPAC NameN,N-diethyl-1-tributylstannyloxyethanamine
SMILESCCCC[Sn](CCCC)(CCCC)OC(C)N(CC)CC
InChIInChI=1S/C6H14NO.3C4H9.Sn/c1-4-7(5-2)6(3)8;3*1-3-4-2;/h6H,4-5H2,1-3H3;3*1,3-4H2,2H3;/q-1;;;;+1
InChIKeyJWOLBVKDBJEDTE-UHFFFAOYSA-N
XLogP6.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.24
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-propoxyethanamine
CID 173093623
dibutyl-[dibutyl(dodecyl)stannyl]oxy-dodecylstannane
CID 18432072
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
2-tributylstannyloxy-N,N-bis(2-tributylstannyloxyethyl)ethanamine
CID 16689184
butyl-[butyl-methyl-(2-methylpropyl)stannyl]oxy-methyl-(2-methylpropyl)stannane
CID 87642884
N-ethyl-N-propylicosan-2-amine
CID 172693354
tri(nonyl)-tri(nonyl)stannyloxystannane
CID 23295113
CID 154389818
CID 154389818
tributyl(1-ethoxyethyl)stannane
CID 10926565
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tetrabutylstannane
CID 160899301
(2S)-N,N-dibutylhexan-2-amine
CID 124633708

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-tributylstannyloxyethanamine?
The IUPAC name of N,N-diethyl-1-tributylstannyloxyethanamine (CID 22757043) is N,N-diethyl-1-tributylstannyloxyethanamine.
What is the SMILES notation for N,N-diethyl-1-tributylstannyloxyethanamine?
The canonical SMILES for N,N-diethyl-1-tributylstannyloxyethanamine is CCCC[Sn](CCCC)(CCCC)OC(C)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-tributylstannyloxyethanamine?
The InChIKey is JWOLBVKDBJEDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO.3C4H9.Sn/c1-4-7(5-2)6(3)8;3*1-3-4-2;/h6H,4-5H2,1-3H3;3*1,3-4H2,2H3;/q-1;;;;+1.
What are the key properties of N,N-diethyl-1-tributylstannyloxyethanamine?
N,N-diethyl-1-tributylstannyloxyethanamine has a molecular weight of 406.24 g/mol, XLogP of 6.04, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-tributylstannyloxyethanamine is sourced from PubChem (CID 22757043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).