tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate

C25H51NO2Sn — CID 15164410

IUPACtert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate
SMILESCCCC[Sn](CCCC)(CCCC)C(C1CCCCC1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24NO2.3C4H9.Sn/c1-13(2,3)16-12(15)14(4)10-11-8-6-5-7-9-11;3*1-3-4-2;/h10-11H,5-9H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyDEIMAGCGTYUBBY-UHFFFAOYSA-N
MW516.40 g/mol
LogP8.19
Rot. Bonds12

About tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate

tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate (PubChem CID 15164410) has the molecular formula C25H51NO2Sn and a molecular weight of 516.40 g/mol. Its IUPAC name is tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate
PubChem CID15164410
Molecular FormulaC25H51NO2Sn
Molecular Weight516.40 g/mol
Exact Mass517.29
IUPAC Nametert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate
SMILESCCCC[Sn](CCCC)(CCCC)C(C1CCCCC1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24NO2.3C4H9.Sn/c1-13(2,3)16-12(15)14(4)10-11-8-6-5-7-9-11;3*1-3-4-2;/h10-11H,5-9H2,1-4H3;3*1,3-4H2,2H3;
InChIKeyDEIMAGCGTYUBBY-UHFFFAOYSA-N
XLogP8.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.40
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(3R)-1-amino-3-cycloheptyl-3-hydroxypropyl]-N-methylcarbamate
CID 67188506
(2S)-2-cyclohexyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetic acid
CID 66890007
tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
CID 59201362
(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol
CID 177418456
3-cyclobutyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 116861122
tert-butyl N-(1-cyclobutyl-3-hydroxypropan-2-yl)-N-methylcarbamate
CID 116861117
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
CID 103729545
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate (CID 15164410) is tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate is CCCC[Sn](CCCC)(CCCC)C(C1CCCCC1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate?
The InChIKey is DEIMAGCGTYUBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO2.3C4H9.Sn/c1-13(2,3)16-12(15)14(4)10-11-8-6-5-7-9-11;3*1-3-4-2;/h10-11H,5-9H2,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate?
tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate has a molecular weight of 516.40 g/mol, XLogP of 8.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 15164410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).