4-amino-1-methoxy-7-methyldecan-5-one

C12H25NO2 — CID 116593750

IUPAC4-amino-1-methoxy-7-methyldecan-5-one
SMILESCCCC(C)CC(=O)C(N)CCCOC
InChIInChI=1S/C12H25NO2/c1-4-6-10(2)9-12(14)11(13)7-5-8-15-3/h10-11H,4-9,13H2,1-3H3
InChIKeyHMVFYSWQVILEML-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.14
Rot. Bonds9

About 4-amino-1-methoxy-7-methyldecan-5-one

4-amino-1-methoxy-7-methyldecan-5-one (PubChem CID 116593750) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-amino-1-methoxy-7-methyldecan-5-one.

Molecular Properties

Compound Name4-amino-1-methoxy-7-methyldecan-5-one
PubChem CID116593750
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-amino-1-methoxy-7-methyldecan-5-one
SMILESCCCC(C)CC(=O)C(N)CCCOC
InChIInChI=1S/C12H25NO2/c1-4-6-10(2)9-12(14)11(13)7-5-8-15-3/h10-11H,4-9,13H2,1-3H3
InChIKeyHMVFYSWQVILEML-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxy-7-methyldecan-5-one?
The IUPAC name of 4-amino-1-methoxy-7-methyldecan-5-one (CID 116593750) is 4-amino-1-methoxy-7-methyldecan-5-one.
What is the SMILES notation for 4-amino-1-methoxy-7-methyldecan-5-one?
The canonical SMILES for 4-amino-1-methoxy-7-methyldecan-5-one is CCCC(C)CC(=O)C(N)CCCOC.
What is the InChIKey of 4-amino-1-methoxy-7-methyldecan-5-one?
The InChIKey is HMVFYSWQVILEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-10(2)9-12(14)11(13)7-5-8-15-3/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 4-amino-1-methoxy-7-methyldecan-5-one?
4-amino-1-methoxy-7-methyldecan-5-one has a molecular weight of 215.34 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxy-7-methyldecan-5-one is sourced from PubChem (CID 116593750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).