ethane;2-[2-(methylamino)ethylamino]acetaldehyde

C7H18N2O — CID 144858841

IUPACethane;2-[2-(methylamino)ethylamino]acetaldehyde
SMILESCC.CNCCNCC=O
InChIInChI=1S/C5H12N2O.C2H6/c1-6-2-3-7-4-5-8;1-2/h5-7H,2-4H2,1H3;1-2H3
InChIKeyBWDWATHJHODSCV-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.02
Rot. Bonds5

About ethane;2-[2-(methylamino)ethylamino]acetaldehyde

ethane;2-[2-(methylamino)ethylamino]acetaldehyde (PubChem CID 144858841) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is ethane;2-[2-(methylamino)ethylamino]acetaldehyde.

Molecular Properties

Compound Nameethane;2-[2-(methylamino)ethylamino]acetaldehyde
PubChem CID144858841
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Nameethane;2-[2-(methylamino)ethylamino]acetaldehyde
SMILESCC.CNCCNCC=O
InChIInChI=1S/C5H12N2O.C2H6/c1-6-2-3-7-4-5-8;1-2/h5-7H,2-4H2,1H3;1-2H3
InChIKeyBWDWATHJHODSCV-UHFFFAOYSA-N
XLogP0.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
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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Related Compounds

N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
2-[(2-oxoethylamino)methylamino]acetaldehyde
CID 54207302
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
ethane;8-(methylamino)octanal
CID 164864481
2-(decylamino)acetaldehyde
CID 87184304
ethane;9-(methylamino)nonanal
CID 164864319
2-(methylamino)acetaldehyde;2-methylpropane;propane
CID 142611186
N'-[2-[bis[2-(methylamino)ethyl]amino]ethyl]-N-methylethane-1,2-diamine
CID 20736880
[2-(methylamino)ethylamino]methanol
CID 58963756
20-(methylamino)icosanal
CID 177224793
N-[2-[2-(methylamino)ethylamino]ethyl]-6-oxoheptanamide
CID 59766021
sodium;2-(ethylamino)acetaldehyde;hydride
CID 173371347

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(methylamino)ethylamino]acetaldehyde?
The IUPAC name of ethane;2-[2-(methylamino)ethylamino]acetaldehyde (CID 144858841) is ethane;2-[2-(methylamino)ethylamino]acetaldehyde.
What is the SMILES notation for ethane;2-[2-(methylamino)ethylamino]acetaldehyde?
The canonical SMILES for ethane;2-[2-(methylamino)ethylamino]acetaldehyde is CC.CNCCNCC=O.
What is the InChIKey of ethane;2-[2-(methylamino)ethylamino]acetaldehyde?
The InChIKey is BWDWATHJHODSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2H6/c1-6-2-3-7-4-5-8;1-2/h5-7H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-[2-(methylamino)ethylamino]acetaldehyde?
ethane;2-[2-(methylamino)ethylamino]acetaldehyde has a molecular weight of 146.23 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(methylamino)ethylamino]acetaldehyde is sourced from PubChem (CID 144858841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).