[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate

C20H34N2O5 — CID 129127203

IUPAC[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCNCCOCCOCCOCCNC(=O)OCC1[C@H]2CCC#CCC[C@@H]12
InChIInChI=1S/C20H34N2O5/c1-21-8-10-24-12-14-26-15-13-25-11-9-22-20(23)27-16-19-17-6-4-2-3-5-7-18(17)19/h17-19,21H,4-16H2,1H3,(H,22,23)/t17-,18+,19?
InChIKeyFLKGOXWTASYYRX-DFNIBXOVSA-N
MW382.50 g/mol
LogP1.42
Rot. Bonds14

About [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate

[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 129127203) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID129127203
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCNCCOCCOCCOCCNC(=O)OCC1[C@H]2CCC#CCC[C@@H]12
InChIInChI=1S/C20H34N2O5/c1-21-8-10-24-12-14-26-15-13-25-11-9-22-20(23)27-16-19-17-6-4-2-3-5-7-18(17)19/h17-19,21H,4-16H2,1H3,(H,22,23)/t17-,18+,19?
InChIKeyFLKGOXWTASYYRX-DFNIBXOVSA-N
XLogP1.42
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 129127203) is [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate is CNCCOCCOCCOCCNC(=O)OCC1[C@H]2CCC#CCC[C@@H]12.
What is the InChIKey of [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is FLKGOXWTASYYRX-DFNIBXOVSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-21-8-10-24-12-14-26-15-13-25-11-9-22-20(23)27-16-19-17-6-4-2-3-5-7-18(17)19/h17-19,21H,4-16H2,1H3,(H,22,23)/t17-,18+,19?.
What are the key properties of [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 382.50 g/mol, XLogP of 1.42, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 129127203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).