tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate

C14H26N2O2 — CID 118458941

IUPACtert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate
SMILESCN[C@H]1CC/C=C\CC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-12-10-8-6-5-7-9-11(12)15-4/h5-6,11-12,15H,7-10H2,1-4H3,(H,16,17)/b6-5-/t11-,12+/m0/s1
InChIKeyLRVPYHGKWGTWHG-ABZJQCSKSA-N
MW254.37 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate

tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate (PubChem CID 118458941) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate
PubChem CID118458941
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate
SMILESCN[C@H]1CC/C=C\CC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-12-10-8-6-5-7-9-11(12)15-4/h5-6,11-12,15H,7-10H2,1-4H3,(H,16,17)/b6-5-/t11-,12+/m0/s1
InChIKeyLRVPYHGKWGTWHG-ABZJQCSKSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.60
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-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
(1R,4Z,8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooct-4-ene-1-carboxylic acid
CID 17039484
tert-butyl N-(8-formylcyclooct-4-en-1-yl)carbamate
CID 130003410
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate (CID 118458941) is tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate is CN[C@H]1CC/C=C\CC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate?
The InChIKey is LRVPYHGKWGTWHG-ABZJQCSKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-12-10-8-6-5-7-9-11(12)15-4/h5-6,11-12,15H,7-10H2,1-4H3,(H,16,17)/b6-5-/t11-,12+/m0/s1.
What are the key properties of tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate?
tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate is sourced from PubChem (CID 118458941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).