6-amino-2,4,6-trimethylhept-1-en-3-one

C10H19NO — CID 22165045

IUPAC6-amino-2,4,6-trimethylhept-1-en-3-one
SMILESC=C(C)C(=O)C(C)CC(C)(C)N
InChIInChI=1S/C10H19NO/c1-7(2)9(12)8(3)6-10(4,5)11/h8H,1,6,11H2,2-5H3
InChIKeyJGEOCILVJNJFGS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds4

About 6-amino-2,4,6-trimethylhept-1-en-3-one

6-amino-2,4,6-trimethylhept-1-en-3-one (PubChem CID 22165045) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-amino-2,4,6-trimethylhept-1-en-3-one.

Molecular Properties

Compound Name6-amino-2,4,6-trimethylhept-1-en-3-one
PubChem CID22165045
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-amino-2,4,6-trimethylhept-1-en-3-one
SMILESC=C(C)C(=O)C(C)CC(C)(C)N
InChIInChI=1S/C10H19NO/c1-7(2)9(12)8(3)6-10(4,5)11/h8H,1,6,11H2,2-5H3
InChIKeyJGEOCILVJNJFGS-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,4,6-trimethylhept-1-en-3-one?
The IUPAC name of 6-amino-2,4,6-trimethylhept-1-en-3-one (CID 22165045) is 6-amino-2,4,6-trimethylhept-1-en-3-one.
What is the SMILES notation for 6-amino-2,4,6-trimethylhept-1-en-3-one?
The canonical SMILES for 6-amino-2,4,6-trimethylhept-1-en-3-one is C=C(C)C(=O)C(C)CC(C)(C)N.
What is the InChIKey of 6-amino-2,4,6-trimethylhept-1-en-3-one?
The InChIKey is JGEOCILVJNJFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)9(12)8(3)6-10(4,5)11/h8H,1,6,11H2,2-5H3.
What are the key properties of 6-amino-2,4,6-trimethylhept-1-en-3-one?
6-amino-2,4,6-trimethylhept-1-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,4,6-trimethylhept-1-en-3-one is sourced from PubChem (CID 22165045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).