ethyl N-(2-amino-1-cyclooctylethyl)carbamate

C13H26N2O2 — CID 114207874

IUPACethyl N-(2-amino-1-cyclooctylethyl)carbamate
SMILESCCOC(=O)NC(CN)C1CCCCCCC1
InChIInChI=1S/C13H26N2O2/c1-2-17-13(16)15-12(10-14)11-8-6-4-3-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyZZAJEBFJMSDYAF-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.42
Rot. Bonds4

About ethyl N-(2-amino-1-cyclooctylethyl)carbamate

ethyl N-(2-amino-1-cyclooctylethyl)carbamate (PubChem CID 114207874) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl N-(2-amino-1-cyclooctylethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-amino-1-cyclooctylethyl)carbamate
PubChem CID114207874
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl N-(2-amino-1-cyclooctylethyl)carbamate
SMILESCCOC(=O)NC(CN)C1CCCCCCC1
InChIInChI=1S/C13H26N2O2/c1-2-17-13(16)15-12(10-14)11-8-6-4-3-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyZZAJEBFJMSDYAF-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-amino-1-cyclooctylethyl)carbamate?
The IUPAC name of ethyl N-(2-amino-1-cyclooctylethyl)carbamate (CID 114207874) is ethyl N-(2-amino-1-cyclooctylethyl)carbamate.
What is the SMILES notation for ethyl N-(2-amino-1-cyclooctylethyl)carbamate?
The canonical SMILES for ethyl N-(2-amino-1-cyclooctylethyl)carbamate is CCOC(=O)NC(CN)C1CCCCCCC1.
What is the InChIKey of ethyl N-(2-amino-1-cyclooctylethyl)carbamate?
The InChIKey is ZZAJEBFJMSDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-17-13(16)15-12(10-14)11-8-6-4-3-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of ethyl N-(2-amino-1-cyclooctylethyl)carbamate?
ethyl N-(2-amino-1-cyclooctylethyl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-amino-1-cyclooctylethyl)carbamate is sourced from PubChem (CID 114207874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).