methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate

C19H41NOSn — CID 11101813

IUPACmethyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate
SMILESCCCC[Sn](CCCC)(CCCC)C(/N=C(/C)OC)C(C)C
InChIInChI=1S/C7H14NO.3C4H9.Sn/c1-6(2)5-8-7(3)9-4;3*1-3-4-2;/h5-6H,1-4H3;3*1,3-4H2,2H3;/b8-7-;;;;
InChIKeyBZTQNGHGUXGEAK-LIIRSGIESA-N
MW418.25 g/mol
LogP6.46
Rot. Bonds12

About methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate

methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate (PubChem CID 11101813) has the molecular formula C19H41NOSn and a molecular weight of 418.25 g/mol. Its IUPAC name is methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate.

Molecular Properties

Compound Namemethyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate
PubChem CID11101813
Molecular FormulaC19H41NOSn
Molecular Weight418.25 g/mol
Exact Mass419.22
IUPAC Namemethyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate
SMILESCCCC[Sn](CCCC)(CCCC)C(/N=C(/C)OC)C(C)C
InChIInChI=1S/C7H14NO.3C4H9.Sn/c1-6(2)5-8-7(3)9-4;3*1-3-4-2;/h5-6H,1-4H3;3*1,3-4H2,2H3;/b8-7-;;;;
InChIKeyBZTQNGHGUXGEAK-LIIRSGIESA-N
XLogP6.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.25
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-methyl-1-tributylstannylpropan-1-ol
CID 71355540
tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane
CID 14902376
tributyl-[4-(methoxymethoxy)but-3-en-2-yl]stannane
CID 71341507
(2R,3S)-3-tributylstannyloctan-2-ol
CID 177407142
tributyl(1-ethoxyethyl)stannane
CID 10926565
methyl N-decylethanimidate
CID 51355250
tributyl(hexan-2-yl)stannane
CID 88731679
tributyl(diethoxymethyl)stannane
CID 4197765
5-(methoxymethoxy)-1-tributylstannylpentan-1-ol
CID 10863048
[(E)-1-tributylstannylhex-2-enyl] acetate
CID 15652301
tributyl-[cyclopropyl(methoxy)methyl]stannane
CID 68528396
5-tributylstannylhexan-3-one
CID 14250102

Frequently Asked Questions

What is the IUPAC name of methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate?
The IUPAC name of methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate (CID 11101813) is methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate.
What is the SMILES notation for methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate?
The canonical SMILES for methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate is CCCC[Sn](CCCC)(CCCC)C(/N=C(/C)OC)C(C)C.
What is the InChIKey of methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate?
The InChIKey is BZTQNGHGUXGEAK-LIIRSGIESA-N. The full InChI is InChI=1S/C7H14NO.3C4H9.Sn/c1-6(2)5-8-7(3)9-4;3*1-3-4-2;/h5-6H,1-4H3;3*1,3-4H2,2H3;/b8-7-;;;;.
What are the key properties of methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate?
methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate has a molecular weight of 418.25 g/mol, XLogP of 6.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-N-(2-methyl-1-tributylstannylpropyl)ethanimidate is sourced from PubChem (CID 11101813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).