5-amino-2,6-dimethyloct-1-en-4-one

C10H19NO — CID 116552850

IUPAC5-amino-2,6-dimethyloct-1-en-4-one
SMILESC=C(C)CC(=O)C(N)C(C)CC
InChIInChI=1S/C10H19NO/c1-5-8(4)10(11)9(12)6-7(2)3/h8,10H,2,5-6,11H2,1,3-4H3
InChIKeyLPERNXPVIIIEHF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds5

About 5-amino-2,6-dimethyloct-1-en-4-one

5-amino-2,6-dimethyloct-1-en-4-one (PubChem CID 116552850) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-amino-2,6-dimethyloct-1-en-4-one.

Molecular Properties

Compound Name5-amino-2,6-dimethyloct-1-en-4-one
PubChem CID116552850
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-amino-2,6-dimethyloct-1-en-4-one
SMILESC=C(C)CC(=O)C(N)C(C)CC
InChIInChI=1S/C10H19NO/c1-5-8(4)10(11)9(12)6-7(2)3/h8,10H,2,5-6,11H2,1,3-4H3
InChIKeyLPERNXPVIIIEHF-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,6-dimethyloct-1-en-4-one?
The IUPAC name of 5-amino-2,6-dimethyloct-1-en-4-one (CID 116552850) is 5-amino-2,6-dimethyloct-1-en-4-one.
What is the SMILES notation for 5-amino-2,6-dimethyloct-1-en-4-one?
The canonical SMILES for 5-amino-2,6-dimethyloct-1-en-4-one is C=C(C)CC(=O)C(N)C(C)CC.
What is the InChIKey of 5-amino-2,6-dimethyloct-1-en-4-one?
The InChIKey is LPERNXPVIIIEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8(4)10(11)9(12)6-7(2)3/h8,10H,2,5-6,11H2,1,3-4H3.
What are the key properties of 5-amino-2,6-dimethyloct-1-en-4-one?
5-amino-2,6-dimethyloct-1-en-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,6-dimethyloct-1-en-4-one is sourced from PubChem (CID 116552850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).