[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate

C17H32N2O2 — CID 118547651

IUPAC[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1/C=C\CC(NC(C)(C)C)CCC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)18-13-9-7-11-14(12-8-10-13)21-15(20)19-17(4,5)6/h7,11,13-14,18H,8-10,12H2,1-6H3,(H,19,20)/b11-7-
InChIKeyCRDHSLWZBRXLFS-XFFZJAGNSA-N
MW296.46 g/mol
LogP3.77
Rot. Bonds2

About [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate

[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate (PubChem CID 118547651) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
PubChem CID118547651
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1/C=C\CC(NC(C)(C)C)CCC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)18-13-9-7-11-14(12-8-10-13)21-15(20)19-17(4,5)6/h7,11,13-14,18H,8-10,12H2,1-6H3,(H,19,20)/b11-7-
InChIKeyCRDHSLWZBRXLFS-XFFZJAGNSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.77
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

[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate
CID 118550746
[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458934
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
[(2E)-5-(2,2-dimethylpropanoyl)-5-methylcyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 155458431
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647
(3E)-5-(methylcarbamoyloxy)cyclooct-3-ene-1-carboxylic acid
CID 90183096
[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate
CID 118458921
pyrrolidin-2-yl N-tert-butylcarbamate
CID 91218699
1-tert-butyl-3-cyclobutylurea
CID 17217146
[(2E)-cyclooct-2-en-1-yl] 3,3-dimethylbutanoate
CID 157293657
[3-(hydroxymethyl)cyclohexyl] N-tert-butylcarbamate
CID 90910799
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459

Frequently Asked Questions

What is the IUPAC name of [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate?
The IUPAC name of [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate (CID 118547651) is [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1/C=C\CC(NC(C)(C)C)CCC1.
What is the InChIKey of [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate?
The InChIKey is CRDHSLWZBRXLFS-XFFZJAGNSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)18-13-9-7-11-14(12-8-10-13)21-15(20)19-17(4,5)6/h7,11,13-14,18H,8-10,12H2,1-6H3,(H,19,20)/b11-7-.
What are the key properties of [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate?
[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate has a molecular weight of 296.46 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate is sourced from PubChem (CID 118547651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).