tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate

C18H34N2O3Si — CID 134874810

IUPACtert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(C#N)O[Si](C)(C)C
InChIInChI=1S/C18H34N2O3Si/c1-18(2,3)22-17(21)20-15(12-14-10-8-7-9-11-14)16(13-19)23-24(4,5)6/h14-16H,7-12H2,1-6H3,(H,20,21)
InChIKeyJMBGSPCBVIBIOP-UHFFFAOYSA-N
MW354.57 g/mol
LogP4.59
Rot. Bonds6

About tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate

tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate (PubChem CID 134874810) has the molecular formula C18H34N2O3Si and a molecular weight of 354.57 g/mol. Its IUPAC name is tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate
PubChem CID134874810
Molecular FormulaC18H34N2O3Si
Molecular Weight354.57 g/mol
Exact Mass354.23
IUPAC Nametert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CC1CCCCC1)C(C#N)O[Si](C)(C)C
InChIInChI=1S/C18H34N2O3Si/c1-18(2,3)22-17(21)20-15(12-14-10-8-7-9-11-14)16(13-19)23-24(4,5)6/h14-16H,7-12H2,1-6H3,(H,20,21)
InChIKeyJMBGSPCBVIBIOP-UHFFFAOYSA-N
XLogP4.59
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-cyanononan-4-yl]carbamate
CID 138981423
(3S,4S)-3-Hydroxy-4-t-butyloxycarbonylamino-5-cyclohexylpentane nitrile
CID 10968477
tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-3-cyclohexylpropan-2-yl]carbamate
CID 14179483
tert-butyl N-[(2S)-1-cyano-3-cyclohexyl-1-hydroxypropan-2-yl]carbamate
CID 14216319
[(1R,2S)-1-cyano-3-cyclohexyl-2-(propan-2-yloxycarbonylamino)propyl] acetate
CID 14603289
[(1S,2S)-1-cyano-3-cyclohexyl-2-(propan-2-yloxycarbonylamino)propyl] acetate
CID 14603290
tert-butyl N-[4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamate
CID 17802428
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-4-(2-methylpropylamino)butan-2-yl]carbamate
CID 18603361
tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[carbamoyl(2-methylpropyl)amino]-1-cyclohexylbutan-2-yl]carbamate
CID 18603362
tert-butyl N-[(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
CID 18631426
tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
CID 18631427
tert-butyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-trimethylsilylbutan-2-yl]carbamate
CID 18659855

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate (CID 134874810) is tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CC1CCCCC1)C(C#N)O[Si](C)(C)C.
What is the InChIKey of tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate?
The InChIKey is JMBGSPCBVIBIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3Si/c1-18(2,3)22-17(21)20-15(12-14-10-8-7-9-11-14)16(13-19)23-24(4,5)6/h14-16H,7-12H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate?
tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate has a molecular weight of 354.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyano-3-cyclohexyl-1-trimethylsilyloxypropan-2-yl)carbamate is sourced from PubChem (CID 134874810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).