3-(tert-butylamino)pentan-2-one

C9H19NO — CID 123205051

IUPAC3-(tert-butylamino)pentan-2-one
SMILESCCC(NC(C)(C)C)C(C)=O
InChIInChI=1S/C9H19NO/c1-6-8(7(2)11)10-9(3,4)5/h8,10H,6H2,1-5H3
InChIKeyLPFJHNKELRPRBB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.74
Rot. Bonds3

About 3-(tert-butylamino)pentan-2-one

3-(tert-butylamino)pentan-2-one (PubChem CID 123205051) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-(tert-butylamino)pentan-2-one.

Molecular Properties

Compound Name3-(tert-butylamino)pentan-2-one
PubChem CID123205051
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-(tert-butylamino)pentan-2-one
SMILESCCC(NC(C)(C)C)C(C)=O
InChIInChI=1S/C9H19NO/c1-6-8(7(2)11)10-9(3,4)5/h8,10H,6H2,1-5H3
InChIKeyLPFJHNKELRPRBB-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 3-(tert-butylamino)pentan-2-one?
The IUPAC name of 3-(tert-butylamino)pentan-2-one (CID 123205051) is 3-(tert-butylamino)pentan-2-one.
What is the SMILES notation for 3-(tert-butylamino)pentan-2-one?
The canonical SMILES for 3-(tert-butylamino)pentan-2-one is CCC(NC(C)(C)C)C(C)=O.
What is the InChIKey of 3-(tert-butylamino)pentan-2-one?
The InChIKey is LPFJHNKELRPRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-8(7(2)11)10-9(3,4)5/h8,10H,6H2,1-5H3.
What are the key properties of 3-(tert-butylamino)pentan-2-one?
3-(tert-butylamino)pentan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)pentan-2-one is sourced from PubChem (CID 123205051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).