tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate

C14H26N2O2 — CID 154856942

IUPACtert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C12CCCC(CNC1)C2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16(4)14-7-5-6-11(8-14)9-15-10-14/h11,15H,5-10H2,1-4H3
InChIKeyRFGCKBMTRAPVJF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate

tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate (PubChem CID 154856942) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate
PubChem CID154856942
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C12CCCC(CNC1)C2
InChIInChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16(4)14-7-5-6-11(8-14)9-15-10-14/h11,15H,5-10H2,1-4H3
InChIKeyRFGCKBMTRAPVJF-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R)-4-fluoro-3-methylpyrrolidin-3-yl]-N-methylcarbamate
CID 163762600
tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate
CID 168977654
tert-butyl N-(1-cyano-3-methylcyclohexyl)-N-methylcarbamate
CID 138057758
tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate
CID 98454271
tert-butyl N-(3,3-difluorocyclohexyl)-N-methylcarbamate
CID 154432366
tert-butyl N-methyl-N-(5-oxa-2-azaspiro[3.4]octan-7-yl)carbamate
CID 131606550
1,5-dimethyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-3-carboxylic acid
CID 81468523
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 122508081
tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 154265911
tert-butyl N-[(1S,2S)-1-(bromomethyl)-2-methylcyclopropyl]-N-methylcarbamate
CID 69436573
tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
CID 58332169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate (CID 154856942) is tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C12CCCC(CNC1)C2.
What is the InChIKey of tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate?
The InChIKey is RFGCKBMTRAPVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16(4)14-7-5-6-11(8-14)9-15-10-14/h11,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate?
tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate has a molecular weight of 254.37 g/mol, XLogP of 2.39, 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-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate is sourced from PubChem (CID 154856942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).