tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate

C20H30N2O2 — CID 3217175

IUPACtert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21-16-12-17-10-7-11-18(13-16)22(17)14-15-8-5-4-6-9-15/h4-6,8-9,16-18H,7,10-14H2,1-3H3,(H,21,23)
InChIKeyJSCHDMDXTYLNBN-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate

tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate (PubChem CID 3217175) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
PubChem CID3217175
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Nametert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21-16-12-17-10-7-11-18(13-16)22(17)14-15-8-5-4-6-9-15/h4-6,8-9,16-18H,7,10-14H2,1-3H3,(H,21,23)
InChIKeyJSCHDMDXTYLNBN-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate (CID 3217175) is tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate is CC(C)(C)OC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate?
The InChIKey is JSCHDMDXTYLNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)21-16-12-17-10-7-11-18(13-16)22(17)14-15-8-5-4-6-9-15/h4-6,8-9,16-18H,7,10-14H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate?
tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate has a molecular weight of 330.47 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate is sourced from PubChem (CID 3217175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).