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

C6H14N2O — CID 45087438

IUPAC2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde
SMILESCNCCN(C)CC=O
InChIInChI=1S/C6H14N2O/c1-7-3-4-8(2)5-6-9/h6-7H,3-5H2,1-2H3
InChIKeySXQLRZOVKGXLMN-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.66
Rot. Bonds5

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

2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde (PubChem CID 45087438) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde
PubChem CID45087438
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde
SMILESCNCCN(C)CC=O
InChIInChI=1S/C6H14N2O/c1-7-3-4-8(2)5-6-9/h6-7H,3-5H2,1-2H3
InChIKeySXQLRZOVKGXLMN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde?
The IUPAC name of 2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde (CID 45087438) is 2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde.
What is the SMILES notation for 2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde?
The canonical SMILES for 2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde is CNCCN(C)CC=O.
What is the InChIKey of 2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde?
The InChIKey is SXQLRZOVKGXLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-7-3-4-8(2)5-6-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde?
2-[methyl-[2-(methylamino)ethyl]amino]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-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde is sourced from PubChem (CID 45087438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).