3-(diethylamino)propan-1-one

C7H14NO- — CID 3631845

IUPAC3-(diethylamino)propan-1-one
SMILESCCN(CC)CC[C-]=O
InChIInChI=1S/C7H14NO/c1-3-8(4-2)6-5-7-9/h3-6H2,1-2H3/q-1
InChIKeyBTDTVGJJSHNEIO-UHFFFAOYSA-N
MW128.19 g/mol
LogP0.83
Rot. Bonds5

About 3-(diethylamino)propan-1-one

3-(diethylamino)propan-1-one (PubChem CID 3631845) has the molecular formula C7H14NO- and a molecular weight of 128.19 g/mol. Its IUPAC name is 3-(diethylamino)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)propan-1-one
PubChem CID3631845
Molecular FormulaC7H14NO-
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name3-(diethylamino)propan-1-one
SMILESCCN(CC)CC[C-]=O
InChIInChI=1S/C7H14NO/c1-3-8(4-2)6-5-7-9/h3-6H2,1-2H3/q-1
InChIKeyBTDTVGJJSHNEIO-UHFFFAOYSA-N
XLogP0.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(diethylamino)propan-1-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

4-(Dimethylamino)butan-2-one
CID 546913
3-(Diethylamino)propanal
CID 429319
3-(Diethylamino)-2-fluoropropanoyl fluoride
CID 88613986
3-(Diethylamino)-3-fluoropropanoyl fluoride
CID 88613987
3-(Dimethylamino)propanoyl fluoride
CID 139607788
3-(Diethylamino)propanoyl fluoride
CID 139607789
3-(Dipropylamino)propanoyl fluoride
CID 153945521
4-[Ethyl(methyl)amino]butan-2-one
CID 23568947
3-[Ethyl(methyl)amino]propanal
CID 54200852
3-(Diethylamino)propan-1-one;tungsten
CID 57764630
3-(Dipropylamino)propan-1-one;tungsten
CID 57792100
CID 58974204
CID 58974204

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)propan-1-one?
The IUPAC name of 3-(diethylamino)propan-1-one (CID 3631845) is 3-(diethylamino)propan-1-one.
What is the SMILES notation for 3-(diethylamino)propan-1-one?
The canonical SMILES for 3-(diethylamino)propan-1-one is CCN(CC)CC[C-]=O.
What is the InChIKey of 3-(diethylamino)propan-1-one?
The InChIKey is BTDTVGJJSHNEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO/c1-3-8(4-2)6-5-7-9/h3-6H2,1-2H3/q-1.
What are the key properties of 3-(diethylamino)propan-1-one?
3-(diethylamino)propan-1-one has a molecular weight of 128.19 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)propan-1-one is sourced from PubChem (CID 3631845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).