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

C5H12N2O — CID 57453157

IUPAC2-amino-2-[ethyl(methyl)amino]acetaldehyde
SMILESCCN(C)C(N)C=O
InChIInChI=1S/C5H12N2O/c1-3-7(2)5(6)4-8/h4-5H,3,6H2,1-2H3
InChIKeyBZBFMBWDBITFIN-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.58
Rot. Bonds3

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

2-amino-2-[ethyl(methyl)amino]acetaldehyde (PubChem CID 57453157) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-amino-2-[ethyl(methyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-amino-2-[ethyl(methyl)amino]acetaldehyde
PubChem CID57453157
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-amino-2-[ethyl(methyl)amino]acetaldehyde
SMILESCCN(C)C(N)C=O
InChIInChI=1S/C5H12N2O/c1-3-7(2)5(6)4-8/h4-5H,3,6H2,1-2H3
InChIKeyBZBFMBWDBITFIN-UHFFFAOYSA-N
XLogP-0.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[ethyl(methyl)amino]acetaldehyde?
The IUPAC name of 2-amino-2-[ethyl(methyl)amino]acetaldehyde (CID 57453157) is 2-amino-2-[ethyl(methyl)amino]acetaldehyde.
What is the SMILES notation for 2-amino-2-[ethyl(methyl)amino]acetaldehyde?
The canonical SMILES for 2-amino-2-[ethyl(methyl)amino]acetaldehyde is CCN(C)C(N)C=O.
What is the InChIKey of 2-amino-2-[ethyl(methyl)amino]acetaldehyde?
The InChIKey is BZBFMBWDBITFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-7(2)5(6)4-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-amino-2-[ethyl(methyl)amino]acetaldehyde?
2-amino-2-[ethyl(methyl)amino]acetaldehyde has a molecular weight of 116.16 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[ethyl(methyl)amino]acetaldehyde is sourced from PubChem (CID 57453157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).