tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate

C13H24N2O2 — CID 118459009

IUPACtert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1/C=C\CCCC[C@H]1N
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10(11)14/h7,9-11H,4-6,8,14H2,1-3H3,(H,15,16)/b9-7-/t10-,11-/m1/s1
InChIKeyPMZNJCHQWWYGGA-ZNWQGHSCSA-N
MW240.35 g/mol
LogP2.34
Rot. Bonds1

About tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate

tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate (PubChem CID 118459009) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate
PubChem CID118459009
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1/C=C\CCCC[C@H]1N
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10(11)14/h7,9-11H,4-6,8,14H2,1-3H3,(H,15,16)/b9-7-/t10-,11-/m1/s1
InChIKeyPMZNJCHQWWYGGA-ZNWQGHSCSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,8R)-8-formylcyclooct-2-en-1-yl]carbamate
CID 98106498
(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooct-3-ene-1-carboxylic acid
CID 95897971
tert-butyl N-[(1R,3E)-2-aminocyclooct-3-en-1-yl]carbamate
CID 118458947
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylate
CID 102420537
(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-3-ene-1-carboxylic acid
CID 90478152
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate (CID 118459009) is tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1/C=C\CCCC[C@H]1N.
What is the InChIKey of tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate?
The InChIKey is PMZNJCHQWWYGGA-ZNWQGHSCSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10(11)14/h7,9-11H,4-6,8,14H2,1-3H3,(H,15,16)/b9-7-/t10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate?
tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate is sourced from PubChem (CID 118459009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).