tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid

C22H46N2O3Si — CID 67084929

IUPACtert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid
SMILESCC(C)[Si](OC1CCC(NCCN(C(=O)O)C(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,25,26)
InChIKeyFDYYLVHPFNDDRN-UHFFFAOYSA-N
MW414.71 g/mol
LogP5.86
Rot. Bonds9

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

tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid (PubChem CID 67084929) has the molecular formula C22H46N2O3Si and a molecular weight of 414.71 g/mol. Its IUPAC name is tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid
PubChem CID67084929
Molecular FormulaC22H46N2O3Si
Molecular Weight414.71 g/mol
Exact Mass414.33
IUPAC Nametert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid
SMILESCC(C)[Si](OC1CCC(NCCN(C(=O)O)C(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,25,26)
InChIKeyFDYYLVHPFNDDRN-UHFFFAOYSA-N
XLogP5.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.71
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid (CID 67084929) is tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid is CC(C)[Si](OC1CCC(NCCN(C(=O)O)C(C)(C)C)CC1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid?
The InChIKey is FDYYLVHPFNDDRN-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,25,26).
What are the key properties of tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid?
tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid has a molecular weight of 414.71 g/mol, XLogP of 5.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[4-tri(propan-2-yl)silyloxycyclohexyl]amino]ethyl]carbamic acid is sourced from PubChem (CID 67084929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).