1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone

C11H21NO2 — CID 116579830

IUPAC1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1CCCCC1N
InChIInChI=1S/C11H21NO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h8-10H,3-7,12H2,1-2H3
InChIKeyVRDMTKPZWXVQDJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.50
Rot. Bonds4

About 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone

1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone (PubChem CID 116579830) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone
PubChem CID116579830
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1CCCCC1N
InChIInChI=1S/C11H21NO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h8-10H,3-7,12H2,1-2H3
InChIKeyVRDMTKPZWXVQDJ-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone (CID 116579830) is 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1CCCCC1N.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone?
The InChIKey is VRDMTKPZWXVQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone?
1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone has a molecular weight of 199.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 116579830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).