1-(2-aminocyclohexyl)-2-propoxyethanone

C11H21NO2 — CID 116579940

IUPAC1-(2-aminocyclohexyl)-2-propoxyethanone
SMILESCCCOCC(=O)C1CCCCC1N
InChIInChI=1S/C11H21NO2/c1-2-7-14-8-11(13)9-5-3-4-6-10(9)12/h9-10H,2-8,12H2,1H3
InChIKeyMGDRJYQRQTYYRP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.50
Rot. Bonds5

About 1-(2-aminocyclohexyl)-2-propoxyethanone

1-(2-aminocyclohexyl)-2-propoxyethanone (PubChem CID 116579940) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-propoxyethanone
PubChem CID116579940
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2-aminocyclohexyl)-2-propoxyethanone
SMILESCCCOCC(=O)C1CCCCC1N
InChIInChI=1S/C11H21NO2/c1-2-7-14-8-11(13)9-5-3-4-6-10(9)12/h9-10H,2-8,12H2,1H3
InChIKeyMGDRJYQRQTYYRP-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-propoxyethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-propoxyethanone (CID 116579940) is 1-(2-aminocyclohexyl)-2-propoxyethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-propoxyethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-propoxyethanone is CCCOCC(=O)C1CCCCC1N.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-propoxyethanone?
The InChIKey is MGDRJYQRQTYYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-7-14-8-11(13)9-5-3-4-6-10(9)12/h9-10H,2-8,12H2,1H3.
What are the key properties of 1-(2-aminocyclohexyl)-2-propoxyethanone?
1-(2-aminocyclohexyl)-2-propoxyethanone has a molecular weight of 199.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-propoxyethanone is sourced from PubChem (CID 116579940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).