(1-amino-2-cyclohexylpropan-2-yl) acetate

C11H21NO2 — CID 141049297

IUPAC(1-amino-2-cyclohexylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(CN)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(13)14-11(2,8-12)10-6-4-3-5-7-10/h10H,3-8,12H2,1-2H3
InChIKeyIOXPXENKNCBSJW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About (1-amino-2-cyclohexylpropan-2-yl) acetate

(1-amino-2-cyclohexylpropan-2-yl) acetate (PubChem CID 141049297) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (1-amino-2-cyclohexylpropan-2-yl) acetate.

Molecular Properties

Compound Name(1-amino-2-cyclohexylpropan-2-yl) acetate
PubChem CID141049297
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(1-amino-2-cyclohexylpropan-2-yl) acetate
SMILESCC(=O)OC(C)(CN)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-9(13)14-11(2,8-12)10-6-4-3-5-7-10/h10H,3-8,12H2,1-2H3
InChIKeyIOXPXENKNCBSJW-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-cyclohexylpropan-2-yl) acetate?
The IUPAC name of (1-amino-2-cyclohexylpropan-2-yl) acetate (CID 141049297) is (1-amino-2-cyclohexylpropan-2-yl) acetate.
What is the SMILES notation for (1-amino-2-cyclohexylpropan-2-yl) acetate?
The canonical SMILES for (1-amino-2-cyclohexylpropan-2-yl) acetate is CC(=O)OC(C)(CN)C1CCCCC1.
What is the InChIKey of (1-amino-2-cyclohexylpropan-2-yl) acetate?
The InChIKey is IOXPXENKNCBSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(13)14-11(2,8-12)10-6-4-3-5-7-10/h10H,3-8,12H2,1-2H3.
What are the key properties of (1-amino-2-cyclohexylpropan-2-yl) acetate?
(1-amino-2-cyclohexylpropan-2-yl) acetate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-cyclohexylpropan-2-yl) acetate is sourced from PubChem (CID 141049297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).