tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate

C28H42N2O3Si — CID 173121597

IUPACtert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)C[C@@H]1N
InChIInChI=1S/C28H42N2O3Si/c1-27(2,3)25(20-17-18-24(23(29)19-20)30-26(31)32-28(4,5)6)33-34(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-25,34H,17-19,29H2,1-6H3,(H,30,31)/t20-,23+,24+,25?/m1/s1
InChIKeyGCXUSAHSKDRRPM-ARVXXLRMSA-N
MW482.74 g/mol
LogP3.98
Rot. Bonds6

About tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate

tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate (PubChem CID 173121597) has the molecular formula C28H42N2O3Si and a molecular weight of 482.74 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate
PubChem CID173121597
Molecular FormulaC28H42N2O3Si
Molecular Weight482.74 g/mol
Exact Mass482.30
IUPAC Nametert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)C[C@@H]1N
InChIInChI=1S/C28H42N2O3Si/c1-27(2,3)25(20-17-18-24(23(29)19-20)30-26(31)32-28(4,5)6)33-34(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-25,34H,17-19,29H2,1-6H3,(H,30,31)/t20-,23+,24+,25?/m1/s1
InChIKeyGCXUSAHSKDRRPM-ARVXXLRMSA-N
XLogP3.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.74
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate with MolForge

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Related Compounds

4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexane-1,2-diamine
CID 173121594
tert-butyl 1,2-diamino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexane-1-carboxylate
CID 173018657
(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane
CID 173387668
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;(1S)-1-hydroxy-1-phenylpropan-2-one
CID 158308736
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
tert-butyl N-[(3S)-4-diphenylsilyloxy-1-hydroxy-5,5-dimethylhexan-3-yl]carbamate
CID 173184420
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate (CID 173121597) is tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)C[C@@H]1N.
What is the InChIKey of tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate?
The InChIKey is GCXUSAHSKDRRPM-ARVXXLRMSA-N. The full InChI is InChI=1S/C28H42N2O3Si/c1-27(2,3)25(20-17-18-24(23(29)19-20)30-26(31)32-28(4,5)6)33-34(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-25,34H,17-19,29H2,1-6H3,(H,30,31)/t20-,23+,24+,25?/m1/s1.
What are the key properties of tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate?
tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate has a molecular weight of 482.74 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S,4R)-2-amino-4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexyl]carbamate is sourced from PubChem (CID 173121597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).