tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate

C21H44N2O3Si — CID 69270243

IUPACtert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate
SMILESCNC[C@H](C)N(C(=O)OC(C)(C)C)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C21H44N2O3Si/c1-16(15-22-8)23(19(24)25-20(2,3)4)17-11-13-18(14-12-17)26-27(9,10)21(5,6)7/h16-18,22H,11-15H2,1-10H3/t16-,17?,18?/m0/s1
InChIKeyYTVFDLVIUNJTFQ-AOCRQIFASA-N
MW400.68 g/mol
LogP5.16
Rot. Bonds6

About tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate

tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate (PubChem CID 69270243) has the molecular formula C21H44N2O3Si and a molecular weight of 400.68 g/mol. Its IUPAC name is tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate
PubChem CID69270243
Molecular FormulaC21H44N2O3Si
Molecular Weight400.68 g/mol
Exact Mass400.31
IUPAC Nametert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate
SMILESCNC[C@H](C)N(C(=O)OC(C)(C)C)C1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C21H44N2O3Si/c1-16(15-22-8)23(19(24)25-20(2,3)4)17-11-13-18(14-12-17)26-27(9,10)21(5,6)7/h16-18,22H,11-15H2,1-10H3/t16-,17?,18?/m0/s1
InChIKeyYTVFDLVIUNJTFQ-AOCRQIFASA-N
XLogP5.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate (CID 69270243) is tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate is CNC[C@H](C)N(C(=O)OC(C)(C)C)C1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate?
The InChIKey is YTVFDLVIUNJTFQ-AOCRQIFASA-N. The full InChI is InChI=1S/C21H44N2O3Si/c1-16(15-22-8)23(19(24)25-20(2,3)4)17-11-13-18(14-12-17)26-27(9,10)21(5,6)7/h16-18,22H,11-15H2,1-10H3/t16-,17?,18?/m0/s1.
What are the key properties of tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate?
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate has a molecular weight of 400.68 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-N-[(2S)-1-(methylamino)propan-2-yl]carbamate is sourced from PubChem (CID 69270243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).