(E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine

C19H41NOSn — CID 134877359

IUPAC(E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine
SMILESCCCCCCC/C=N/C(CCCCCCC)O[Sn](C)(C)C
InChIInChI=1S/C16H32NO.3CH3.Sn/c1-3-5-7-9-11-13-15-17-16(18)14-12-10-8-6-4-2;;;;/h15-16H,3-14H2,1-2H3;3*1H3;/q-1;;;;+1/b17-15+;;;;
InChIKeyUFUIFTJLPIBFPE-NQCWPLJXSA-N
MW418.25 g/mol
LogP6.96
Rot. Bonds15

About (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine

(E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine (PubChem CID 134877359) has the molecular formula C19H41NOSn and a molecular weight of 418.25 g/mol. Its IUPAC name is (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine.

Molecular Properties

Compound Name(E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine
PubChem CID134877359
Molecular FormulaC19H41NOSn
Molecular Weight418.25 g/mol
Exact Mass419.22
IUPAC Name(E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine
SMILESCCCCCCC/C=N/C(CCCCCCC)O[Sn](C)(C)C
InChIInChI=1S/C16H32NO.3CH3.Sn/c1-3-5-7-9-11-13-15-17-16(18)14-12-10-8-6-4-2;;;;/h15-16H,3-14H2,1-2H3;3*1H3;/q-1;;;;+1/b17-15+;;;;
InChIKeyUFUIFTJLPIBFPE-NQCWPLJXSA-N
XLogP6.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine?
The IUPAC name of (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine (CID 134877359) is (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine.
What is the SMILES notation for (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine?
The canonical SMILES for (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine is CCCCCCC/C=N/C(CCCCCCC)O[Sn](C)(C)C.
What is the InChIKey of (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine?
The InChIKey is UFUIFTJLPIBFPE-NQCWPLJXSA-N. The full InChI is InChI=1S/C16H32NO.3CH3.Sn/c1-3-5-7-9-11-13-15-17-16(18)14-12-10-8-6-4-2;;;;/h15-16H,3-14H2,1-2H3;3*1H3;/q-1;;;;+1/b17-15+;;;;.
What are the key properties of (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine?
(E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine has a molecular weight of 418.25 g/mol, XLogP of 6.96, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine is sourced from PubChem (CID 134877359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).