1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone

C11H21NO2 — CID 116600542

IUPAC1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone
SMILESCCOCC(=O)C1(CN)CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-8-10(13)11(9-12)6-4-3-5-7-11/h2-9,12H2,1H3
InChIKeyQMBMBLIWDZSPIP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.50
Rot. Bonds5

About 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone

1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone (PubChem CID 116600542) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone
PubChem CID116600542
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone
SMILESCCOCC(=O)C1(CN)CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-8-10(13)11(9-12)6-4-3-5-7-11/h2-9,12H2,1H3
InChIKeyQMBMBLIWDZSPIP-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

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Related Compounds

(3R)-1-(6-aminohexoxy)-4-cyclohexyl-3-methylbutan-2-one
CID 160283317
[4-(Aminomethyl)oxan-4-yl]-(3-ethylcyclohexyl)methanone
CID 113542214
1-[4-(Aminomethyl)oxan-4-yl]-3-cyclohexylpropan-1-one
CID 114193622
3-(Aminomethyl)-3-ethyl-8-(oxan-4-yl)octan-4-one
CID 114193624
7-Amino-1-ethoxy-5,5-dimethylheptan-2-one
CID 116574732
7-Amino-5,5-dimethyl-1-propoxyheptan-2-one
CID 116574885
1-(1-Aminocyclohexyl)-3-ethoxypropan-2-one
CID 116578910
1-(1-Aminocyclohexyl)-3-propoxypropan-2-one
CID 116579057
1-(2-Aminocyclohexyl)-2-ethoxyethanone
CID 116579787
1-(2-Aminocyclohexyl)-2-propan-2-yloxyethanone
CID 116579830
1-(2-Aminocyclohexyl)-2-methoxyethanone
CID 116579835
1-(2-Aminocyclohexyl)-2-propoxyethanone
CID 116579940

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone (CID 116600542) is 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone is CCOCC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone?
The InChIKey is QMBMBLIWDZSPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-8-10(13)11(9-12)6-4-3-5-7-11/h2-9,12H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone?
1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone 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-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone is sourced from PubChem (CID 116600542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).