8-(ethylamino)octan-2-one

C10H21NO — CID 170584616

IUPAC8-(ethylamino)octan-2-one
SMILESCCNCCCCCCC(C)=O
InChIInChI=1S/C10H21NO/c1-3-11-9-7-5-4-6-8-10(2)12/h11H,3-9H2,1-2H3
InChIKeyXNPKQUKIKHGZFJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.14
Rot. Bonds8

About 8-(ethylamino)octan-2-one

8-(ethylamino)octan-2-one (PubChem CID 170584616) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 8-(ethylamino)octan-2-one.

Molecular Properties

Compound Name8-(ethylamino)octan-2-one
PubChem CID170584616
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name8-(ethylamino)octan-2-one
SMILESCCNCCCCCCC(C)=O
InChIInChI=1S/C10H21NO/c1-3-11-9-7-5-4-6-8-10(2)12/h11H,3-9H2,1-2H3
InChIKeyXNPKQUKIKHGZFJ-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(ethylamino)decanoic acid
CID 57308942
N,N'-diethylpentane-1,5-diamine
CID 15013244
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
8-(hydroxyamino)octan-2-one
CID 89395522
13-(methylamino)tridecan-2-one
CID 23382037
methane;12-(methylamino)dodecan-2-one;propane
CID 158218512
3-(5-oxohexylamino)propanoic acid
CID 87146551
ethane;7-(methylamino)heptan-2-one
CID 176694896
N-(8-oxononyl)acetamide
CID 58114719
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-(12-oxotridecyl)propanamide
CID 171540592

Frequently Asked Questions

What is the IUPAC name of 8-(ethylamino)octan-2-one?
The IUPAC name of 8-(ethylamino)octan-2-one (CID 170584616) is 8-(ethylamino)octan-2-one.
What is the SMILES notation for 8-(ethylamino)octan-2-one?
The canonical SMILES for 8-(ethylamino)octan-2-one is CCNCCCCCCC(C)=O.
What is the InChIKey of 8-(ethylamino)octan-2-one?
The InChIKey is XNPKQUKIKHGZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-11-9-7-5-4-6-8-10(2)12/h11H,3-9H2,1-2H3.
What are the key properties of 8-(ethylamino)octan-2-one?
8-(ethylamino)octan-2-one has a molecular weight of 171.28 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylamino)octan-2-one is sourced from PubChem (CID 170584616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).