2-[2-(dimethylamino)ethylamino]acetaldehyde

C6H14N2O — CID 19606788

IUPAC2-[2-(dimethylamino)ethylamino]acetaldehyde
SMILESCN(C)CCNCC=O
InChIInChI=1S/C6H14N2O/c1-8(2)5-3-7-4-6-9/h6-7H,3-5H2,1-2H3
InChIKeyUMGPFSKLYOANSJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.66
Rot. Bonds5

About 2-[2-(dimethylamino)ethylamino]acetaldehyde

2-[2-(dimethylamino)ethylamino]acetaldehyde (PubChem CID 19606788) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]acetaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]acetaldehyde
PubChem CID19606788
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-[2-(dimethylamino)ethylamino]acetaldehyde
SMILESCN(C)CCNCC=O
InChIInChI=1S/C6H14N2O/c1-8(2)5-3-7-4-6-9/h6-7H,3-5H2,1-2H3
InChIKeyUMGPFSKLYOANSJ-UHFFFAOYSA-N
XLogP-0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]acetaldehyde?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]acetaldehyde (CID 19606788) is 2-[2-(dimethylamino)ethylamino]acetaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]acetaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]acetaldehyde is CN(C)CCNCC=O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]acetaldehyde?
The InChIKey is UMGPFSKLYOANSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8(2)5-3-7-4-6-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]acetaldehyde?
2-[2-(dimethylamino)ethylamino]acetaldehyde has a molecular weight of 130.19 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]acetaldehyde is sourced from PubChem (CID 19606788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).