1-(diethylamino)pentan-2-one

C9H19NO — CID 12987907

IUPAC1-(diethylamino)pentan-2-one
SMILESCCCC(=O)CN(CC)CC
InChIInChI=1S/C9H19NO/c1-4-7-9(11)8-10(5-2)6-3/h4-8H2,1-3H3
InChIKeyMFBMAFBMODVDKF-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.70
Rot. Bonds6

About 1-(diethylamino)pentan-2-one

1-(diethylamino)pentan-2-one (PubChem CID 12987907) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(diethylamino)pentan-2-one.

Molecular Properties

Compound Name1-(diethylamino)pentan-2-one
PubChem CID12987907
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(diethylamino)pentan-2-one
SMILESCCCC(=O)CN(CC)CC
InChIInChI=1S/C9H19NO/c1-4-7-9(11)8-10(5-2)6-3/h4-8H2,1-3H3
InChIKeyMFBMAFBMODVDKF-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)pentan-2-one?
The IUPAC name of 1-(diethylamino)pentan-2-one (CID 12987907) is 1-(diethylamino)pentan-2-one.
What is the SMILES notation for 1-(diethylamino)pentan-2-one?
The canonical SMILES for 1-(diethylamino)pentan-2-one is CCCC(=O)CN(CC)CC.
What is the InChIKey of 1-(diethylamino)pentan-2-one?
The InChIKey is MFBMAFBMODVDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-7-9(11)8-10(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of 1-(diethylamino)pentan-2-one?
1-(diethylamino)pentan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)pentan-2-one is sourced from PubChem (CID 12987907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).