4-methyl-4-(propylamino)pentan-2-one

C9H19NO — CID 12726090

IUPAC4-methyl-4-(propylamino)pentan-2-one
SMILESCCCNC(C)(C)CC(C)=O
InChIInChI=1S/C9H19NO/c1-5-6-10-9(3,4)7-8(2)11/h10H,5-7H2,1-4H3
InChIKeyDTKMSESNHYFNKK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.74
Rot. Bonds5

About 4-methyl-4-(propylamino)pentan-2-one

4-methyl-4-(propylamino)pentan-2-one (PubChem CID 12726090) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-4-(propylamino)pentan-2-one.

Molecular Properties

Compound Name4-methyl-4-(propylamino)pentan-2-one
PubChem CID12726090
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-4-(propylamino)pentan-2-one
SMILESCCCNC(C)(C)CC(C)=O
InChIInChI=1S/C9H19NO/c1-5-6-10-9(3,4)7-8(2)11/h10H,5-7H2,1-4H3
InChIKeyDTKMSESNHYFNKK-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(propylamino)pentan-2-one?
The IUPAC name of 4-methyl-4-(propylamino)pentan-2-one (CID 12726090) is 4-methyl-4-(propylamino)pentan-2-one.
What is the SMILES notation for 4-methyl-4-(propylamino)pentan-2-one?
The canonical SMILES for 4-methyl-4-(propylamino)pentan-2-one is CCCNC(C)(C)CC(C)=O.
What is the InChIKey of 4-methyl-4-(propylamino)pentan-2-one?
The InChIKey is DTKMSESNHYFNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-10-9(3,4)7-8(2)11/h10H,5-7H2,1-4H3.
What are the key properties of 4-methyl-4-(propylamino)pentan-2-one?
4-methyl-4-(propylamino)pentan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(propylamino)pentan-2-one is sourced from PubChem (CID 12726090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).