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

C7H15NO2 — CID 116596528

IUPAC5-amino-1-methoxy-4-methylpentan-2-one
SMILESCOCC(=O)CC(C)CN
InChIInChI=1S/C7H15NO2/c1-6(4-8)3-7(9)5-10-2/h6H,3-5,8H2,1-2H3
InChIKeyVZMSUVINNICOGH-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.19
Rot. Bonds5

About 5-amino-1-methoxy-4-methylpentan-2-one

5-amino-1-methoxy-4-methylpentan-2-one (PubChem CID 116596528) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-amino-1-methoxy-4-methylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-methoxy-4-methylpentan-2-one
PubChem CID116596528
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name5-amino-1-methoxy-4-methylpentan-2-one
SMILESCOCC(=O)CC(C)CN
InChIInChI=1S/C7H15NO2/c1-6(4-8)3-7(9)5-10-2/h6H,3-5,8H2,1-2H3
InChIKeyVZMSUVINNICOGH-UHFFFAOYSA-N
XLogP0.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-methylhexan-2-one
CID 62619896
1-methoxy-4-methylpentan-2-one
CID 13108539
4,5-dihydroxy-1-methoxyhexan-2-one
CID 54489389
1-methoxy-4,5,5-trimethylhexan-2-one
CID 115783352
(2R)-4-methoxy-2-methylpent-4-en-1-amine
CID 163577748
methoxycarbonyl (3S)-4-amino-3-methylbutanoate
CID 174679266
(5-methoxy-4-oxopentan-2-yl) acetate
CID 173436790
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
4-amino-1-methoxyheptan-2-one
CID 116607814
6-amino-5-methyl-1-methylsulfonylhexan-3-one
CID 116596702
1-ethoxy-5-methoxy-4-methylpentan-2-one
CID 105114767

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methoxy-4-methylpentan-2-one?
The IUPAC name of 5-amino-1-methoxy-4-methylpentan-2-one (CID 116596528) is 5-amino-1-methoxy-4-methylpentan-2-one.
What is the SMILES notation for 5-amino-1-methoxy-4-methylpentan-2-one?
The canonical SMILES for 5-amino-1-methoxy-4-methylpentan-2-one is COCC(=O)CC(C)CN.
What is the InChIKey of 5-amino-1-methoxy-4-methylpentan-2-one?
The InChIKey is VZMSUVINNICOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(4-8)3-7(9)5-10-2/h6H,3-5,8H2,1-2H3.
What are the key properties of 5-amino-1-methoxy-4-methylpentan-2-one?
5-amino-1-methoxy-4-methylpentan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methoxy-4-methylpentan-2-one is sourced from PubChem (CID 116596528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).