1-(dimethylamino)-5-methoxypentan-2-one

C8H17NO2 — CID 114854087

IUPAC1-(dimethylamino)-5-methoxypentan-2-one
SMILESCOCCCC(=O)CN(C)C
InChIInChI=1S/C8H17NO2/c1-9(2)7-8(10)5-4-6-11-3/h4-7H2,1-3H3
InChIKeyZQURHDPCYBZXNR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.54
Rot. Bonds6

About 1-(dimethylamino)-5-methoxypentan-2-one

1-(dimethylamino)-5-methoxypentan-2-one (PubChem CID 114854087) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(dimethylamino)-5-methoxypentan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-5-methoxypentan-2-one
PubChem CID114854087
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(dimethylamino)-5-methoxypentan-2-one
SMILESCOCCCC(=O)CN(C)C
InChIInChI=1S/C8H17NO2/c1-9(2)7-8(10)5-4-6-11-3/h4-7H2,1-3H3
InChIKeyZQURHDPCYBZXNR-UHFFFAOYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
1-bromo-5-methoxypentan-2-one
CID 12794990
1-methoxynonan-4-one
CID 65091900
6-methoxy-3-oxohexanoic acid
CID 57018252
1,8-dimethoxyoctane-4,5-dione
CID 139993978
4-methoxybutanamide
CID 22414177
4-methoxybutanamide;hydrochloride
CID 141117964
methyl 4-methoxybutanoate
CID 542317
1-cyclopropyl-5-methoxypentan-2-one
CID 65094605
1-(dimethylamino)-5-methoxy-5-methylhexan-2-one
CID 103035375
1,1,1-trifluoro-7-methoxyheptan-4-one
CID 65092607
1-methoxyoct-7-yn-4-one
CID 65092248

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-5-methoxypentan-2-one?
The IUPAC name of 1-(dimethylamino)-5-methoxypentan-2-one (CID 114854087) is 1-(dimethylamino)-5-methoxypentan-2-one.
What is the SMILES notation for 1-(dimethylamino)-5-methoxypentan-2-one?
The canonical SMILES for 1-(dimethylamino)-5-methoxypentan-2-one is COCCCC(=O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-5-methoxypentan-2-one?
The InChIKey is ZQURHDPCYBZXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9(2)7-8(10)5-4-6-11-3/h4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-5-methoxypentan-2-one?
1-(dimethylamino)-5-methoxypentan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-5-methoxypentan-2-one is sourced from PubChem (CID 114854087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).