2-amino-1-(3-ethylcyclohexyl)ethanone

C10H19NO — CID 116548368

IUPAC2-amino-1-(3-ethylcyclohexyl)ethanone
SMILESCCC1CCCC(C(=O)CN)C1
InChIInChI=1S/C10H19NO/c1-2-8-4-3-5-9(6-8)10(12)7-11/h8-9H,2-7,11H2,1H3
InChIKeyXWGMZYFTXWTEKI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-1-(3-ethylcyclohexyl)ethanone

2-amino-1-(3-ethylcyclohexyl)ethanone (PubChem CID 116548368) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-amino-1-(3-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-ethylcyclohexyl)ethanone
PubChem CID116548368
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-amino-1-(3-ethylcyclohexyl)ethanone
SMILESCCC1CCCC(C(=O)CN)C1
InChIInChI=1S/C10H19NO/c1-2-8-4-3-5-9(6-8)10(12)7-11/h8-9H,2-7,11H2,1H3
InChIKeyXWGMZYFTXWTEKI-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
CID 103543718
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone
CID 116601132
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
2-(1-adamantyl)-1-(3-ethylcyclohexyl)ethanone
CID 114976464
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethylcyclohexyl)ethanone?
The IUPAC name of 2-amino-1-(3-ethylcyclohexyl)ethanone (CID 116548368) is 2-amino-1-(3-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-amino-1-(3-ethylcyclohexyl)ethanone is CCC1CCCC(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-(3-ethylcyclohexyl)ethanone?
The InChIKey is XWGMZYFTXWTEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-8-4-3-5-9(6-8)10(12)7-11/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-amino-1-(3-ethylcyclohexyl)ethanone?
2-amino-1-(3-ethylcyclohexyl)ethanone has a molecular weight of 169.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethylcyclohexyl)ethanone is sourced from PubChem (CID 116548368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).