5-(ethylamino)hexan-2-one

C8H17NO — CID 20666905

IUPAC5-(ethylamino)hexan-2-one
SMILESCCNC(C)CCC(C)=O
InChIInChI=1S/C8H17NO/c1-4-9-7(2)5-6-8(3)10/h7,9H,4-6H2,1-3H3
InChIKeyBKFKORPWQVXLRH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.35
Rot. Bonds5

About 5-(ethylamino)hexan-2-one

5-(ethylamino)hexan-2-one (PubChem CID 20666905) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-(ethylamino)hexan-2-one.

Molecular Properties

Compound Name5-(ethylamino)hexan-2-one
PubChem CID20666905
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name5-(ethylamino)hexan-2-one
SMILESCCNC(C)CCC(C)=O
InChIInChI=1S/C8H17NO/c1-4-9-7(2)5-6-8(3)10/h7,9H,4-6H2,1-3H3
InChIKeyBKFKORPWQVXLRH-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)hexan-2-one?
The IUPAC name of 5-(ethylamino)hexan-2-one (CID 20666905) is 5-(ethylamino)hexan-2-one.
What is the SMILES notation for 5-(ethylamino)hexan-2-one?
The canonical SMILES for 5-(ethylamino)hexan-2-one is CCNC(C)CCC(C)=O.
What is the InChIKey of 5-(ethylamino)hexan-2-one?
The InChIKey is BKFKORPWQVXLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-9-7(2)5-6-8(3)10/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-(ethylamino)hexan-2-one?
5-(ethylamino)hexan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)hexan-2-one is sourced from PubChem (CID 20666905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).