tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate

C14H26N2O2 — CID 25324125

IUPACtert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
SMILESCC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2N
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-11-7-9-5-4-6-10(8-11)12(9)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)/t9-,10+,11?,12?
InChIKeyIRRTYOSSILIGST-ZYANWLCNSA-N
MW254.37 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate

tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate (PubChem CID 25324125) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
PubChem CID25324125
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
SMILESCC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2N
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-11-7-9-5-4-6-10(8-11)12(9)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)/t9-,10+,11?,12?
InChIKeyIRRTYOSSILIGST-ZYANWLCNSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 98052973
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(5-amino-1,2,3,4,5,6-hexahydropentalen-2-yl)carbamate
CID 25324803
tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate
CID 170737498
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(2S,3aR,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroinden-2-yl]carbamate
CID 99996619
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate (CID 25324125) is tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate is CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)C2N.
What is the InChIKey of tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate?
The InChIKey is IRRTYOSSILIGST-ZYANWLCNSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-11-7-9-5-4-6-10(8-11)12(9)15/h9-12H,4-8,15H2,1-3H3,(H,16,17)/t9-,10+,11?,12?.
What are the key properties of tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate?
tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate is sourced from PubChem (CID 25324125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).