tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate

C18H40N2O3Si — CID 58080821

IUPACtert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate
SMILESC[C@H](N)CN(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H40N2O3Si/c1-15(19)14-20(16(21)23-17(2,3)4)12-10-11-13-22-24(8,9)18(5,6)7/h15H,10-14,19H2,1-9H3/t15-/m0/s1
InChIKeyAPZJFWXETWWXBN-HNNXBMFYSA-N
MW360.62 g/mol
LogP4.37
Rot. Bonds8

About tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate

tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate (PubChem CID 58080821) has the molecular formula C18H40N2O3Si and a molecular weight of 360.62 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate
PubChem CID58080821
Molecular FormulaC18H40N2O3Si
Molecular Weight360.62 g/mol
Exact Mass360.28
IUPAC Nametert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate
SMILESC[C@H](N)CN(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H40N2O3Si/c1-15(19)14-20(16(21)23-17(2,3)4)12-10-11-13-22-24(8,9)18(5,6)7/h15H,10-14,19H2,1-9H3/t15-/m0/s1
InChIKeyAPZJFWXETWWXBN-HNNXBMFYSA-N
XLogP4.37
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-aminopropyl)-N-(4-hydroxypentyl)carbamate
CID 87126598
tert-butyl N-(2-aminopropyl)-N-[(4S)-4-hydroxypentyl]carbamate
CID 87126597
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
CID 155738458
10-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]decanoic acid
CID 10718218
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980
tert-butyl N-[(3S)-3-aminobutyl]-N-(3-hydroxypropyl)carbamate
CID 58080924
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propanoate
CID 156850157
cyclopentyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 59622358
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 155789476
tert-butyl N-(2-aminohexyl)-N-butylcarbamate
CID 163596345
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-4-carboxylic acid
CID 175572842
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate (CID 58080821) is tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate is C[C@H](N)CN(CCCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate?
The InChIKey is APZJFWXETWWXBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H40N2O3Si/c1-15(19)14-20(16(21)23-17(2,3)4)12-10-11-13-22-24(8,9)18(5,6)7/h15H,10-14,19H2,1-9H3/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate?
tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate has a molecular weight of 360.62 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-aminopropyl]-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate is sourced from PubChem (CID 58080821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).