(E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine

C15H33NOSn — CID 134877295

IUPAC(E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine
SMILESCCCCC/C=N/C(CCCCC)O[Sn](C)(C)C
InChIInChI=1S/C12H24NO.3CH3.Sn/c1-3-5-7-9-11-13-12(14)10-8-6-4-2;;;;/h11-12H,3-10H2,1-2H3;3*1H3;/q-1;;;;+1/b13-11+;;;;
InChIKeyYLJJRNBTAWFJKQ-GMSJRHDLSA-N
MW362.15 g/mol
LogP5.40
Rot. Bonds11

About (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine

(E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine (PubChem CID 134877295) has the molecular formula C15H33NOSn and a molecular weight of 362.15 g/mol. Its IUPAC name is (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine.

Molecular Properties

Compound Name(E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine
PubChem CID134877295
Molecular FormulaC15H33NOSn
Molecular Weight362.15 g/mol
Exact Mass363.16
IUPAC Name(E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine
SMILESCCCCC/C=N/C(CCCCC)O[Sn](C)(C)C
InChIInChI=1S/C12H24NO.3CH3.Sn/c1-3-5-7-9-11-13-12(14)10-8-6-4-2;;;;/h11-12H,3-10H2,1-2H3;3*1H3;/q-1;;;;+1/b13-11+;;;;
InChIKeyYLJJRNBTAWFJKQ-GMSJRHDLSA-N
XLogP5.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.15
LogP ≤ 55.40
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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Related Compounds

(E)-N-(1-trimethylstannyloxyoctyl)octan-1-imine
CID 134877359
2-methoxy-3,4,5,6-tetrahydro-2H-azepine
CID 12360702
N-ethyl-3-hexoxypropan-1-imine
CID 87877005
N-(6-methoxyhexyl)butan-1-imine
CID 123891261

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine?
The IUPAC name of (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine (CID 134877295) is (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine.
What is the SMILES notation for (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine?
The canonical SMILES for (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine is CCCCC/C=N/C(CCCCC)O[Sn](C)(C)C.
What is the InChIKey of (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine?
The InChIKey is YLJJRNBTAWFJKQ-GMSJRHDLSA-N. The full InChI is InChI=1S/C12H24NO.3CH3.Sn/c1-3-5-7-9-11-13-12(14)10-8-6-4-2;;;;/h11-12H,3-10H2,1-2H3;3*1H3;/q-1;;;;+1/b13-11+;;;;.
What are the key properties of (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine?
(E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine has a molecular weight of 362.15 g/mol, XLogP of 5.40, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-trimethylstannyloxyhexyl)hexan-1-imine is sourced from PubChem (CID 134877295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).