2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde

C12H25N3O2 — CID 174170079

IUPAC2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde
SMILESCCN(C)CCN(CC=O)CCN(C)CC=O
InChIInChI=1S/C12H25N3O2/c1-4-13(2)5-7-15(10-12-17)8-6-14(3)9-11-16/h11-12H,4-10H2,1-3H3
InChIKeyUQAWXCIXTNUYOD-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.43
Rot. Bonds11

About 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde

2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde (PubChem CID 174170079) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde
PubChem CID174170079
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde
SMILESCCN(C)CCN(CC=O)CCN(C)CC=O
InChIInChI=1S/C12H25N3O2/c1-4-13(2)5-7-15(10-12-17)8-6-14(3)9-11-16/h11-12H,4-10H2,1-3H3
InChIKeyUQAWXCIXTNUYOD-UHFFFAOYSA-N
XLogP-0.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde 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 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde?
The IUPAC name of 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde (CID 174170079) is 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde.
What is the SMILES notation for 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde?
The canonical SMILES for 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde is CCN(C)CCN(CC=O)CCN(C)CC=O.
What is the InChIKey of 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde?
The InChIKey is UQAWXCIXTNUYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-13(2)5-7-15(10-12-17)8-6-14(3)9-11-16/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde?
2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde has a molecular weight of 243.35 g/mol, XLogP of -0.43, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[ethyl(methyl)amino]ethyl-(2-oxoethyl)amino]ethyl-methylamino]acetaldehyde is sourced from PubChem (CID 174170079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).