2-aminoethyl N-cyclohexylcarbamate

C9H18N2O2 — CID 12696628

IUPAC2-aminoethyl N-cyclohexylcarbamate
SMILESNCCOC(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h8H,1-7,10H2,(H,11,12)
InChIKeyBRPRDKQZNYSESZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.00
Rot. Bonds3

About 2-aminoethyl N-cyclohexylcarbamate

2-aminoethyl N-cyclohexylcarbamate (PubChem CID 12696628) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-aminoethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name2-aminoethyl N-cyclohexylcarbamate
PubChem CID12696628
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-aminoethyl N-cyclohexylcarbamate
SMILESNCCOC(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h8H,1-7,10H2,(H,11,12)
InChIKeyBRPRDKQZNYSESZ-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl N-cyclohexylcarbamate?
The IUPAC name of 2-aminoethyl N-cyclohexylcarbamate (CID 12696628) is 2-aminoethyl N-cyclohexylcarbamate.
What is the SMILES notation for 2-aminoethyl N-cyclohexylcarbamate?
The canonical SMILES for 2-aminoethyl N-cyclohexylcarbamate is NCCOC(=O)NC1CCCCC1.
What is the InChIKey of 2-aminoethyl N-cyclohexylcarbamate?
The InChIKey is BRPRDKQZNYSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-6-7-13-9(12)11-8-4-2-1-3-5-8/h8H,1-7,10H2,(H,11,12).
What are the key properties of 2-aminoethyl N-cyclohexylcarbamate?
2-aminoethyl N-cyclohexylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-cyclohexylcarbamate is sourced from PubChem (CID 12696628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).