tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate

C22H46N2O3Si — CID 123710805

IUPACtert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate
SMILESCC(C)[Si](OC1CCC(NCCNC(=O)OC(C)(C)C)CC1)(C(C)C)C(C)C
InChIInChI=1S/C22H46N2O3Si/c1-16(2)28(17(3)4,18(5)6)27-20-12-10-19(11-13-20)23-14-15-24-21(25)26-22(7,8)9/h16-20,23H,10-15H2,1-9H3,(H,24,25)
InChIKeyZUBRGXSILBCWPX-UHFFFAOYSA-N
MW414.71 g/mol
LogP5.60
Rot. Bonds9

About tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate

tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate (PubChem CID 123710805) has the molecular formula C22H46N2O3Si and a molecular weight of 414.71 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate
PubChem CID123710805
Molecular FormulaC22H46N2O3Si
Molecular Weight414.71 g/mol
Exact Mass414.33
IUPAC Nametert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate
SMILESCC(C)[Si](OC1CCC(NCCNC(=O)OC(C)(C)C)CC1)(C(C)C)C(C)C
InChIInChI=1S/C22H46N2O3Si/c1-16(2)28(17(3)4,18(5)6)27-20-12-10-19(11-13-20)23-14-15-24-21(25)26-22(7,8)9/h16-20,23H,10-15H2,1-9H3,(H,24,25)
InChIKeyZUBRGXSILBCWPX-UHFFFAOYSA-N
XLogP5.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.71
LogP ≤ 55.60
H-Bond Donors ≤ 52
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-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
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tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003
tert-butyl N-[2-[[4-(2-amino-2-oxoethyl)cyclohexyl]amino]ethyl]carbamate
CID 141409731
methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
ethyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid
CID 67084983
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate (CID 123710805) is tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate is CC(C)[Si](OC1CCC(NCCNC(=O)OC(C)(C)C)CC1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate?
The InChIKey is ZUBRGXSILBCWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O3Si/c1-16(2)28(17(3)4,18(5)6)27-20-12-10-19(11-13-20)23-14-15-24-21(25)26-22(7,8)9/h16-20,23H,10-15H2,1-9H3,(H,24,25).
What are the key properties of tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate has a molecular weight of 414.71 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamate is sourced from PubChem (CID 123710805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).