4-amino-1-methoxy-4-methylpentan-2-one

C7H15NO2 — CID 82417774

IUPAC4-amino-1-methoxy-4-methylpentan-2-one
SMILESCOCC(=O)CC(C)(C)N
InChIInChI=1S/C7H15NO2/c1-7(2,8)4-6(9)5-10-3/h4-5,8H2,1-3H3
InChIKeyMLQRNMPOWBRMFN-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.33
Rot. Bonds4

About 4-amino-1-methoxy-4-methylpentan-2-one

4-amino-1-methoxy-4-methylpentan-2-one (PubChem CID 82417774) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-amino-1-methoxy-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-methoxy-4-methylpentan-2-one
PubChem CID82417774
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-amino-1-methoxy-4-methylpentan-2-one
SMILESCOCC(=O)CC(C)(C)N
InChIInChI=1S/C7H15NO2/c1-7(2,8)4-6(9)5-10-3/h4-5,8H2,1-3H3
InChIKeyMLQRNMPOWBRMFN-UHFFFAOYSA-N
XLogP0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxy-4-methylpentan-2-one?
The IUPAC name of 4-amino-1-methoxy-4-methylpentan-2-one (CID 82417774) is 4-amino-1-methoxy-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-methoxy-4-methylpentan-2-one?
The canonical SMILES for 4-amino-1-methoxy-4-methylpentan-2-one is COCC(=O)CC(C)(C)N.
What is the InChIKey of 4-amino-1-methoxy-4-methylpentan-2-one?
The InChIKey is MLQRNMPOWBRMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,8)4-6(9)5-10-3/h4-5,8H2,1-3H3.
What are the key properties of 4-amino-1-methoxy-4-methylpentan-2-one?
4-amino-1-methoxy-4-methylpentan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxy-4-methylpentan-2-one is sourced from PubChem (CID 82417774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).