1-(dimethylamino)-6-methoxyhexan-3-one

C9H19NO2 — CID 114854223

IUPAC1-(dimethylamino)-6-methoxyhexan-3-one
SMILESCOCCCC(=O)CCN(C)C
InChIInChI=1S/C9H19NO2/c1-10(2)7-6-9(11)5-4-8-12-3/h4-8H2,1-3H3
InChIKeyBIYWRULJPGMRDI-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.93
Rot. Bonds7

About 1-(dimethylamino)-6-methoxyhexan-3-one

1-(dimethylamino)-6-methoxyhexan-3-one (PubChem CID 114854223) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(dimethylamino)-6-methoxyhexan-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-6-methoxyhexan-3-one
PubChem CID114854223
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(dimethylamino)-6-methoxyhexan-3-one
SMILESCOCCCC(=O)CCN(C)C
InChIInChI=1S/C9H19NO2/c1-10(2)7-6-9(11)5-4-8-12-3/h4-8H2,1-3H3
InChIKeyBIYWRULJPGMRDI-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)-6-methoxyhexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(dimethylamino)-5-methoxypentan-2-one
CID 114854087
1-bromo-5-methoxypentan-2-one
CID 12794990
1-(dimethylamino)heptan-3-one
CID 18322699
1-methoxynonan-4-one
CID 65091900
1-(dimethylamino)nonan-3-one
CID 115345762
1-(dimethylamino)nonadecan-3-one;hydrochloride
CID 160791865
6-methoxy-3-oxohexanoic acid
CID 57018252
1,1,1-trifluoro-7-methoxyheptan-4-one
CID 65092607
1-(dimethylamino)-6-methylsulfonylhexan-3-one
CID 115345724
1-methoxyoct-7-yn-4-one
CID 65092248
1,8-dimethoxyoctane-4,5-dione
CID 139993978
2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate
CID 87723384

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-6-methoxyhexan-3-one?
The IUPAC name of 1-(dimethylamino)-6-methoxyhexan-3-one (CID 114854223) is 1-(dimethylamino)-6-methoxyhexan-3-one.
What is the SMILES notation for 1-(dimethylamino)-6-methoxyhexan-3-one?
The canonical SMILES for 1-(dimethylamino)-6-methoxyhexan-3-one is COCCCC(=O)CCN(C)C.
What is the InChIKey of 1-(dimethylamino)-6-methoxyhexan-3-one?
The InChIKey is BIYWRULJPGMRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-10(2)7-6-9(11)5-4-8-12-3/h4-8H2,1-3H3.
What are the key properties of 1-(dimethylamino)-6-methoxyhexan-3-one?
1-(dimethylamino)-6-methoxyhexan-3-one has a molecular weight of 173.26 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-6-methoxyhexan-3-one is sourced from PubChem (CID 114854223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).