tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate

C16H27NO3 — CID 123257279

IUPACtert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate
SMILESCC1CC2CC(CC(C)(NC(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C16H27NO3/c1-10-6-11-7-12(13(10)18)9-16(5,8-11)17-14(19)20-15(2,3)4/h10-12H,6-9H2,1-5H3,(H,17,19)
InChIKeyWAIJJJOIAMOYDG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.30
Rot. Bonds1

About tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate

tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate (PubChem CID 123257279) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate
PubChem CID123257279
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate
SMILESCC1CC2CC(CC(C)(NC(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C16H27NO3/c1-10-6-11-7-12(13(10)18)9-16(5,8-11)17-14(19)20-15(2,3)4/h10-12H,6-9H2,1-5H3,(H,17,19)
InChIKeyWAIJJJOIAMOYDG-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate?
The IUPAC name of tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate (CID 123257279) is tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate?
The canonical SMILES for tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate is CC1CC2CC(CC(C)(NC(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate?
The InChIKey is WAIJJJOIAMOYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-10-6-11-7-12(13(10)18)9-16(5,8-11)17-14(19)20-15(2,3)4/h10-12H,6-9H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate?
tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate has a molecular weight of 281.40 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,7-dimethyl-6-oxo-3-bicyclo[3.3.1]nonanyl)carbamate is sourced from PubChem (CID 123257279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).