6-[ethyl(propyl)amino]hexan-2-one

C11H23NO — CID 43792940

IUPAC6-[ethyl(propyl)amino]hexan-2-one
SMILESCCCN(CC)CCCCC(C)=O
InChIInChI=1S/C11H23NO/c1-4-9-12(5-2)10-7-6-8-11(3)13/h4-10H2,1-3H3
InChIKeyUCGGFAHDPKVKIA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.48
Rot. Bonds8

About 6-[ethyl(propyl)amino]hexan-2-one

6-[ethyl(propyl)amino]hexan-2-one (PubChem CID 43792940) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-[ethyl(propyl)amino]hexan-2-one.

Molecular Properties

Compound Name6-[ethyl(propyl)amino]hexan-2-one
PubChem CID43792940
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-[ethyl(propyl)amino]hexan-2-one
SMILESCCCN(CC)CCCCC(C)=O
InChIInChI=1S/C11H23NO/c1-4-9-12(5-2)10-7-6-8-11(3)13/h4-10H2,1-3H3
InChIKeyUCGGFAHDPKVKIA-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(propyl)amino]pentan-2-one
CID 43792941
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
2-[ethyl(5-oxohexyl)amino]-N-methylacetamide
CID 62052639
4-[ethyl(propyl)amino]butanoyl chloride
CID 143367030
6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
CID 162681486
6-[bis(2-hydroxyethyl)amino]hexan-2-one
CID 62050853
N-ethyl-N-propyldecan-1-amine
CID 56933807
4-[ethyl(pentyl)amino]butanamide
CID 57048694
2-[(2-amino-2-oxoethyl)-(5-oxohexyl)amino]acetamide
CID 62921718
1-[ethyl(nonyl)amino]propan-2-one
CID 156818313
sodium;ethane;heptadecan-2-one
CID 167668217
1-[ethyl(2-hydroxyethyl)amino]tridecan-7-one
CID 171836778

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(propyl)amino]hexan-2-one?
The IUPAC name of 6-[ethyl(propyl)amino]hexan-2-one (CID 43792940) is 6-[ethyl(propyl)amino]hexan-2-one.
What is the SMILES notation for 6-[ethyl(propyl)amino]hexan-2-one?
The canonical SMILES for 6-[ethyl(propyl)amino]hexan-2-one is CCCN(CC)CCCCC(C)=O.
What is the InChIKey of 6-[ethyl(propyl)amino]hexan-2-one?
The InChIKey is UCGGFAHDPKVKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-9-12(5-2)10-7-6-8-11(3)13/h4-10H2,1-3H3.
What are the key properties of 6-[ethyl(propyl)amino]hexan-2-one?
6-[ethyl(propyl)amino]hexan-2-one has a molecular weight of 185.31 g/mol, XLogP of 2.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(propyl)amino]hexan-2-one is sourced from PubChem (CID 43792940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).