4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one

C10H22N2O — CID 143277687

IUPAC4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one
SMILESCCN(CCC(C)=O)CCN(C)C
InChIInChI=1S/C10H22N2O/c1-5-12(7-6-10(2)13)9-8-11(3)4/h5-9H2,1-4H3
InChIKeyKPEMSTNRLAYWAI-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.85
Rot. Bonds7

About 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one

4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one (PubChem CID 143277687) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one
PubChem CID143277687
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one
SMILESCCN(CCC(C)=O)CCN(C)C
InChIInChI=1S/C10H22N2O/c1-5-12(7-6-10(2)13)9-8-11(3)4/h5-9H2,1-4H3
InChIKeyKPEMSTNRLAYWAI-UHFFFAOYSA-N
XLogP0.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-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-[2-[2-[bis(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]ethyl-(3-oxobutyl)amino]butan-2-one
CID 168813653
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
5-[ethyl(propyl)amino]pentan-2-one
CID 43792941
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394
6-[ethyl(propyl)amino]hexan-2-one
CID 43792940
N'-[2-(dimethylamino)ethyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine;2-methylpropan-2-amine
CID 87733382
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
methyl 3-[2-[bis(3-oxobutyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 89253634
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
N-methyl-N-(3-oxobutyl)acetamide
CID 12830531

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one (CID 143277687) is 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one is CCN(CCC(C)=O)CCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one?
The InChIKey is KPEMSTNRLAYWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-12(7-6-10(2)13)9-8-11(3)4/h5-9H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one?
4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one has a molecular weight of 186.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-ethylamino]butan-2-one is sourced from PubChem (CID 143277687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).