tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate

C14H26N2O3 — CID 83920436

IUPACtert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC2CCOCC2C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-8-10-6-11-9-18-5-4-12(11)15-7-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyMOCWDWCSCYUYBT-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds2

About tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate

tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate (PubChem CID 83920436) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate
PubChem CID83920436
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CNC2CCOCC2C1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-8-10-6-11-9-18-5-4-12(11)15-7-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyMOCWDWCSCYUYBT-UHFFFAOYSA-N
XLogP1.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate with MolForge

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Related Compounds

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tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate
CID 98124763
tert-butyl N-[[(1S,4R,7S)-2-azabicyclo[2.2.1]heptan-7-yl]methyl]carbamate
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tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
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tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylate
CID 141287219
tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate
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tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate (CID 83920436) is tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CNC2CCOCC2C1.
What is the InChIKey of tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate?
The InChIKey is MOCWDWCSCYUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-8-10-6-11-9-18-5-4-12(11)15-7-10/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate?
tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate has a molecular weight of 270.37 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 83920436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).