3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one

C14H30N2O2 — CID 176581358

IUPAC3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one
SMILESCC(C)C(=O)CN(C)CCOCCN(C)C(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)14(17)11-15(5)7-9-18-10-8-16(6)13(3)4/h12-13H,7-11H2,1-6H3
InChIKeyIKOGXRYRPLHCKK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.50
Rot. Bonds10

About 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one

3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one (PubChem CID 176581358) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one
PubChem CID176581358
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one
SMILESCC(C)C(=O)CN(C)CCOCCN(C)C(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)14(17)11-15(5)7-9-18-10-8-16(6)13(3)4/h12-13H,7-11H2,1-6H3
InChIKeyIKOGXRYRPLHCKK-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one?
The IUPAC name of 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one (CID 176581358) is 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one.
What is the SMILES notation for 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one?
The canonical SMILES for 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one is CC(C)C(=O)CN(C)CCOCCN(C)C(C)C.
What is the InChIKey of 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one?
The InChIKey is IKOGXRYRPLHCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)14(17)11-15(5)7-9-18-10-8-16(6)13(3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one?
3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one has a molecular weight of 258.41 g/mol, XLogP of 1.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one is sourced from PubChem (CID 176581358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).