9-amino-2,5-dimethyldec-2-en-4-one

C12H23NO — CID 116574382

IUPAC9-amino-2,5-dimethyldec-2-en-4-one
SMILESCC(C)=CC(=O)C(C)CCCC(C)N
InChIInChI=1S/C12H23NO/c1-9(2)8-12(14)10(3)6-5-7-11(4)13/h8,10-11H,5-7,13H2,1-4H3
InChIKeyGYYZFRJYXDWTFB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds6

About 9-amino-2,5-dimethyldec-2-en-4-one

9-amino-2,5-dimethyldec-2-en-4-one (PubChem CID 116574382) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 9-amino-2,5-dimethyldec-2-en-4-one.

Molecular Properties

Compound Name9-amino-2,5-dimethyldec-2-en-4-one
PubChem CID116574382
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name9-amino-2,5-dimethyldec-2-en-4-one
SMILESCC(C)=CC(=O)C(C)CCCC(C)N
InChIInChI=1S/C12H23NO/c1-9(2)8-12(14)10(3)6-5-7-11(4)13/h8,10-11H,5-7,13H2,1-4H3
InChIKeyGYYZFRJYXDWTFB-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
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 9-amino-2,5-dimethyldec-2-en-4-one?
The IUPAC name of 9-amino-2,5-dimethyldec-2-en-4-one (CID 116574382) is 9-amino-2,5-dimethyldec-2-en-4-one.
What is the SMILES notation for 9-amino-2,5-dimethyldec-2-en-4-one?
The canonical SMILES for 9-amino-2,5-dimethyldec-2-en-4-one is CC(C)=CC(=O)C(C)CCCC(C)N.
What is the InChIKey of 9-amino-2,5-dimethyldec-2-en-4-one?
The InChIKey is GYYZFRJYXDWTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)8-12(14)10(3)6-5-7-11(4)13/h8,10-11H,5-7,13H2,1-4H3.
What are the key properties of 9-amino-2,5-dimethyldec-2-en-4-one?
9-amino-2,5-dimethyldec-2-en-4-one has a molecular weight of 197.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2,5-dimethyldec-2-en-4-one is sourced from PubChem (CID 116574382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).