tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate

C15H26N2O2 — CID 107236746

IUPACtert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC1CC2CC1C1CCCC21
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-16-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyXBOZQENPKYLNJM-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.84
Rot. Bonds2

About tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate

tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate (PubChem CID 107236746) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate
PubChem CID107236746
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC1CC2CC1C1CCCC21
InChIInChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-16-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyXBOZQENPKYLNJM-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate?
The IUPAC name of tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate (CID 107236746) is tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate.
What is the SMILES notation for tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate?
The canonical SMILES for tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate is CC(C)(C)OC(=O)NNC1CC2CC1C1CCCC21.
What is the InChIKey of tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate?
The InChIKey is XBOZQENPKYLNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,3)19-14(18)17-16-13-8-9-7-12(13)11-6-4-5-10(9)11/h9-13,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate?
tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate has a molecular weight of 266.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-tricyclo[5.2.1.02,6]decanylamino)carbamate is sourced from PubChem (CID 107236746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).