(E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine

C19H40N2Sn — CID 11796111

IUPAC(E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine
SMILESCCCC[Sn](CCCC)(CCCC)C/N=C(\C)N1CCCC1
InChIInChI=1S/C7H13N2.3C4H9.Sn/c1-7(8-2)9-5-3-4-6-9;3*1-3-4-2;/h2-6H2,1H3;3*1,3-4H2,2H3;/b8-7+;;;;
InChIKeyDHWWBOQKDJADSA-YZNHWISSSA-N
MW415.25 g/mol
LogP5.89
Rot. Bonds11

About (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine

(E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine (PubChem CID 11796111) has the molecular formula C19H40N2Sn and a molecular weight of 415.25 g/mol. Its IUPAC name is (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine.

Molecular Properties

Compound Name(E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine
PubChem CID11796111
Molecular FormulaC19H40N2Sn
Molecular Weight415.25 g/mol
Exact Mass416.22
IUPAC Name(E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine
SMILESCCCC[Sn](CCCC)(CCCC)C/N=C(\C)N1CCCC1
InChIInChI=1S/C7H13N2.3C4H9.Sn/c1-7(8-2)9-5-3-4-6-9;3*1-3-4-2;/h2-6H2,1H3;3*1,3-4H2,2H3;/b8-7+;;;;
InChIKeyDHWWBOQKDJADSA-YZNHWISSSA-N
XLogP5.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.25
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine?
The IUPAC name of (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine (CID 11796111) is (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine.
What is the SMILES notation for (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine?
The canonical SMILES for (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine is CCCC[Sn](CCCC)(CCCC)C/N=C(\C)N1CCCC1.
What is the InChIKey of (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine?
The InChIKey is DHWWBOQKDJADSA-YZNHWISSSA-N. The full InChI is InChI=1S/C7H13N2.3C4H9.Sn/c1-7(8-2)9-5-3-4-6-9;3*1-3-4-2;/h2-6H2,1H3;3*1,3-4H2,2H3;/b8-7+;;;;.
What are the key properties of (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine?
(E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine has a molecular weight of 415.25 g/mol, XLogP of 5.89, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyrrolidin-1-yl-N-(tributylstannylmethyl)ethanimine is sourced from PubChem (CID 11796111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).