2-aminoethyl cyclohexyl carbonate

C9H17NO3 — CID 58684752

IUPAC2-aminoethyl cyclohexyl carbonate
SMILESNCCOC(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO3/c10-6-7-12-9(11)13-8-4-2-1-3-5-8/h8H,1-7,10H2
InChIKeyZERYKTOIQZOCPJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.43
Rot. Bonds3

About 2-aminoethyl cyclohexyl carbonate

2-aminoethyl cyclohexyl carbonate (PubChem CID 58684752) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-aminoethyl cyclohexyl carbonate.

Molecular Properties

Compound Name2-aminoethyl cyclohexyl carbonate
PubChem CID58684752
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-aminoethyl cyclohexyl carbonate
SMILESNCCOC(=O)OC1CCCCC1
InChIInChI=1S/C9H17NO3/c10-6-7-12-9(11)13-8-4-2-1-3-5-8/h8H,1-7,10H2
InChIKeyZERYKTOIQZOCPJ-UHFFFAOYSA-N
XLogP1.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl cyclohexyl carbonate?
The IUPAC name of 2-aminoethyl cyclohexyl carbonate (CID 58684752) is 2-aminoethyl cyclohexyl carbonate.
What is the SMILES notation for 2-aminoethyl cyclohexyl carbonate?
The canonical SMILES for 2-aminoethyl cyclohexyl carbonate is NCCOC(=O)OC1CCCCC1.
What is the InChIKey of 2-aminoethyl cyclohexyl carbonate?
The InChIKey is ZERYKTOIQZOCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c10-6-7-12-9(11)13-8-4-2-1-3-5-8/h8H,1-7,10H2.
What are the key properties of 2-aminoethyl cyclohexyl carbonate?
2-aminoethyl cyclohexyl carbonate has a molecular weight of 187.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl cyclohexyl carbonate is sourced from PubChem (CID 58684752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).