N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine

C24H43NOSn — CID 160812472

IUPACN-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
SMILESC/C=N/C(CCOC[Sn](CCCC)(CCCC)CCCC)c1ccccc1
InChIInChI=1S/C12H16NO.3C4H9.Sn/c1-3-13-12(9-10-14-2)11-7-5-4-6-8-11;3*1-3-4-2;/h3-8,12H,2,9-10H2,1H3;3*1,3-4H2,2H3;/b13-3+;;;;
InChIKeyONJWTRIEZUEIFZ-FQYAHNRYSA-N
MW480.33 g/mol
LogP7.61
Rot. Bonds16

About N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine

N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine (PubChem CID 160812472) has the molecular formula C24H43NOSn and a molecular weight of 480.33 g/mol. Its IUPAC name is N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine.

Molecular Properties

Compound NameN-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
PubChem CID160812472
Molecular FormulaC24H43NOSn
Molecular Weight480.33 g/mol
Exact Mass481.24
IUPAC NameN-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine
SMILESC/C=N/C(CCOC[Sn](CCCC)(CCCC)CCCC)c1ccccc1
InChIInChI=1S/C12H16NO.3C4H9.Sn/c1-3-13-12(9-10-14-2)11-7-5-4-6-8-11;3*1-3-4-2;/h3-8,12H,2,9-10H2,1H3;3*1,3-4H2,2H3;/b13-3+;;;;
InChIKeyONJWTRIEZUEIFZ-FQYAHNRYSA-N
XLogP7.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.33
LogP ≤ 57.61
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

N-(1-phenylbutyl)ethanimine
CID 139668089
(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527456
(Z)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527457
1-phenyl-6-(tributylstannylmethoxy)hex-4-yn-3-ol
CID 14527450
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
3,3-dimethyl-1,1,1-triphenyl-4-(tributylstannylmethoxy)butan-2-amine
CID 171108726
tributyl(2-phenoxyethyl)stannane
CID 67611861
(E)-N,N-dibenzyl-2-methyl-6-(tributylstannylmethoxy)hex-4-en-3-amine
CID 14660998
(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol
CID 10930655
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
4-butoxy-2-phenylbutan-1-amine
CID 65429103
N-[(1R)-1-phenylethyl]-N-(tributylstannylmethyl)but-3-en-1-amine
CID 15316826

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine?
The IUPAC name of N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine (CID 160812472) is N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine.
What is the SMILES notation for N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine?
The canonical SMILES for N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine is C/C=N/C(CCOC[Sn](CCCC)(CCCC)CCCC)c1ccccc1.
What is the InChIKey of N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine?
The InChIKey is ONJWTRIEZUEIFZ-FQYAHNRYSA-N. The full InChI is InChI=1S/C12H16NO.3C4H9.Sn/c1-3-13-12(9-10-14-2)11-7-5-4-6-8-11;3*1-3-4-2;/h3-8,12H,2,9-10H2,1H3;3*1,3-4H2,2H3;/b13-3+;;;;.
What are the key properties of N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine?
N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine has a molecular weight of 480.33 g/mol, XLogP of 7.61, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-3-(tributylstannylmethoxy)propyl]ethanimine is sourced from PubChem (CID 160812472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).