5-(dibutylamino)pentan-2-one

C13H27NO — CID 12575440

IUPAC5-(dibutylamino)pentan-2-one
SMILESCCCCN(CCCC)CCCC(C)=O
InChIInChI=1S/C13H27NO/c1-4-6-10-14(11-7-5-2)12-8-9-13(3)15/h4-12H2,1-3H3
InChIKeyNWJMMZLIWZIXKN-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.26
Rot. Bonds10

About 5-(dibutylamino)pentan-2-one

5-(dibutylamino)pentan-2-one (PubChem CID 12575440) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-(dibutylamino)pentan-2-one.

Molecular Properties

Compound Name5-(dibutylamino)pentan-2-one
PubChem CID12575440
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-(dibutylamino)pentan-2-one
SMILESCCCCN(CCCC)CCCC(C)=O
InChIInChI=1S/C13H27NO/c1-4-6-10-14(11-7-5-2)12-8-9-13(3)15/h4-12H2,1-3H3
InChIKeyNWJMMZLIWZIXKN-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dibutylamino)pentan-2-one?
The IUPAC name of 5-(dibutylamino)pentan-2-one (CID 12575440) is 5-(dibutylamino)pentan-2-one.
What is the SMILES notation for 5-(dibutylamino)pentan-2-one?
The canonical SMILES for 5-(dibutylamino)pentan-2-one is CCCCN(CCCC)CCCC(C)=O.
What is the InChIKey of 5-(dibutylamino)pentan-2-one?
The InChIKey is NWJMMZLIWZIXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-10-14(11-7-5-2)12-8-9-13(3)15/h4-12H2,1-3H3.
What are the key properties of 5-(dibutylamino)pentan-2-one?
5-(dibutylamino)pentan-2-one has a molecular weight of 213.36 g/mol, XLogP of 3.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylamino)pentan-2-one is sourced from PubChem (CID 12575440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).