[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate

C17H32N2O2 — CID 118458934

IUPAC[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1/C=C\CCC(NC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)18-13-9-7-8-10-14(12-11-13)21-15(20)19-17(4,5)6/h8,10,13-14,18H,7,9,11-12H2,1-6H3,(H,19,20)/b10-8-
InChIKeyHPFZYNIHKGGLBK-NTMALXAHSA-N
MW296.46 g/mol
LogP3.77
Rot. Bonds2

About [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate

[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate (PubChem CID 118458934) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
PubChem CID118458934
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1/C=C\CCC(NC(C)(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)18-13-9-7-8-10-14(12-11-13)21-15(20)19-17(4,5)6/h8,10,13-14,18H,7,9,11-12H2,1-6H3,(H,19,20)/b10-8-
InChIKeyHPFZYNIHKGGLBK-NTMALXAHSA-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'}

Analyze [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547651
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
ethane;[(2E)-6-(methylamino)cyclooct-2-en-1-yl]oxymethanethioic S-acid
CID 144632126
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647
[(2E)-5-(2,2-dimethylpropanoyl)-5-methylcyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 155458431
[(2E,6S)-6-(2,2-dimethylpropanoyl)cyclooct-2-en-1-yl] N-propan-2-ylcarbamate
CID 146231501
[(2E)-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-ethylcarbamate
CID 122495968
[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] methyl carbonate
CID 118550746
CID 161047089
CID 161047089
[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate
CID 118458921
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
[(2E)-6-aminocyclooct-2-en-1-yl] N-iodocarbamate
CID 174338322

Frequently Asked Questions

What is the IUPAC name of [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate?
The IUPAC name of [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate (CID 118458934) is [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1/C=C\CCC(NC(C)(C)C)CC1.
What is the InChIKey of [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate?
The InChIKey is HPFZYNIHKGGLBK-NTMALXAHSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)18-13-9-7-8-10-14(12-11-13)21-15(20)19-17(4,5)6/h8,10,13-14,18H,7,9,11-12H2,1-6H3,(H,19,20)/b10-8-.
What are the key properties of [(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate?
[(2E)-6-(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)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate is sourced from PubChem (CID 118458934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).