ethane;2-(methylamino)acetaldehyde

C5H13NO — CID 54499176

IUPACethane;2-(methylamino)acetaldehyde
SMILESCC.CNCC=O
InChIInChI=1S/C3H7NO.C2H6/c1-4-2-3-5;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyYBFVZYLBIKGJAQ-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.43
Rot. Bonds2

About ethane;2-(methylamino)acetaldehyde

ethane;2-(methylamino)acetaldehyde (PubChem CID 54499176) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is ethane;2-(methylamino)acetaldehyde.

Molecular Properties

Compound Nameethane;2-(methylamino)acetaldehyde
PubChem CID54499176
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Nameethane;2-(methylamino)acetaldehyde
SMILESCC.CNCC=O
InChIInChI=1S/C3H7NO.C2H6/c1-4-2-3-5;1-2/h3-4H,2H2,1H3;1-2H3
InChIKeyYBFVZYLBIKGJAQ-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Methylamino)acetaldehyde
CID 13316132
2-((2-Aminoethyl)amino)acetaldehyde
CID 18358430
2-(Methylamino)propanal
CID 20499147
2,2'-Azanediyldiacetaldehyde
CID 20268664
2-(2-Fluoroethylamino)acetaldehyde
CID 91464821
2-(2-Oxoethylamino)acetaldehyde;hydrochloride
CID 71336398
2-(Methylamino)acetaldehyde;hydrochloride
CID 13316133
acetaldehyde;N-ethylethanamine
CID 18519863
2-(Butylamino)acetaldehyde
CID 18690825
2-[(Propan-2-yl)amino]acetaldehyde
CID 19606775
2-[(2-Methylpropyl)amino]acetaldehyde
CID 19606778
2-[2-(Dimethylamino)ethylamino]acetaldehyde
CID 19606788

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)acetaldehyde?
The IUPAC name of ethane;2-(methylamino)acetaldehyde (CID 54499176) is ethane;2-(methylamino)acetaldehyde.
What is the SMILES notation for ethane;2-(methylamino)acetaldehyde?
The canonical SMILES for ethane;2-(methylamino)acetaldehyde is CC.CNCC=O.
What is the InChIKey of ethane;2-(methylamino)acetaldehyde?
The InChIKey is YBFVZYLBIKGJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2H6/c1-4-2-3-5;1-2/h3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-(methylamino)acetaldehyde?
ethane;2-(methylamino)acetaldehyde has a molecular weight of 103.16 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)acetaldehyde is sourced from PubChem (CID 54499176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).