8-amino-6-ethyloctan-3-one

C10H21NO — CID 116578085

IUPAC8-amino-6-ethyloctan-3-one
SMILESCCC(=O)CCC(CC)CCN
InChIInChI=1S/C10H21NO/c1-3-9(7-8-11)5-6-10(12)4-2/h9H,3-8,11H2,1-2H3
InChIKeyFHMZHOGDYCTJBV-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.12
Rot. Bonds7

About 8-amino-6-ethyloctan-3-one

8-amino-6-ethyloctan-3-one (PubChem CID 116578085) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 8-amino-6-ethyloctan-3-one.

Molecular Properties

Compound Name8-amino-6-ethyloctan-3-one
PubChem CID116578085
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name8-amino-6-ethyloctan-3-one
SMILESCCC(=O)CCC(CC)CCN
InChIInChI=1S/C10H21NO/c1-3-9(7-8-11)5-6-10(12)4-2/h9H,3-8,11H2,1-2H3
InChIKeyFHMZHOGDYCTJBV-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-ethylundecane-3,6-dione
CID 174193885
6-amino-1-cyclopropyl-4-ethylhexan-1-one
CID 116578317
6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one
CID 116578135
4-(2-aminoethyl)-9-ethyltridecan-7-one
CID 116582753
6-amino-N-ethoxy-4-ethylhexanamide
CID 64974724
7-ethylundecan-3-one
CID 64522719
8-(2-aminoethyl)-3-methylundecan-5-one
CID 116582800
6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
CID 116578308
6-amino-1-cycloheptyl-4-ethylhexan-1-one
CID 116578325
7-amino-5-ethyl-1-(1,3-thiazol-5-yl)heptan-2-one
CID 116578224
7-(2-aminoethyl)-2-methyldecan-4-one
CID 116582797
6-amino-4-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
CID 79362196

Frequently Asked Questions

What is the IUPAC name of 8-amino-6-ethyloctan-3-one?
The IUPAC name of 8-amino-6-ethyloctan-3-one (CID 116578085) is 8-amino-6-ethyloctan-3-one.
What is the SMILES notation for 8-amino-6-ethyloctan-3-one?
The canonical SMILES for 8-amino-6-ethyloctan-3-one is CCC(=O)CCC(CC)CCN.
What is the InChIKey of 8-amino-6-ethyloctan-3-one?
The InChIKey is FHMZHOGDYCTJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(7-8-11)5-6-10(12)4-2/h9H,3-8,11H2,1-2H3.
What are the key properties of 8-amino-6-ethyloctan-3-one?
8-amino-6-ethyloctan-3-one has a molecular weight of 171.28 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-ethyloctan-3-one is sourced from PubChem (CID 116578085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).