2-aminoacetaldehyde;1-methoxypropane

C6H15NO2 — CID 142289100

IUPAC2-aminoacetaldehyde;1-methoxypropane
SMILESCCCOC.NCC=O
InChIInChI=1S/C4H10O.C2H5NO/c1-3-4-5-2;3-1-2-4/h3-4H2,1-2H3;2H,1,3H2
InChIKeyBROYNRANUXSHJJ-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.19
Rot. Bonds3

About 2-aminoacetaldehyde;1-methoxypropane

2-aminoacetaldehyde;1-methoxypropane (PubChem CID 142289100) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-aminoacetaldehyde;1-methoxypropane.

Molecular Properties

Compound Name2-aminoacetaldehyde;1-methoxypropane
PubChem CID142289100
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-aminoacetaldehyde;1-methoxypropane
SMILESCCCOC.NCC=O
InChIInChI=1S/C4H10O.C2H5NO/c1-3-4-5-2;3-1-2-4/h3-4H2,1-2H3;2H,1,3H2
InChIKeyBROYNRANUXSHJJ-UHFFFAOYSA-N
XLogP0.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminoacetaldehyde;methoxymethane
CID 86605370
Aminoacetaldehyde dimethyl acetaldehyde
CID 86669274
2-Aminoacetaldehyde;butane
CID 87226495
2-Aminoacetaldehyde;ethoxyethane
CID 87747922
Acetaldehyde;propan-1-amine
CID 88117948
2-Aminoacetaldehyde;methoxymethanamine
CID 91432479
2-Aminopropanal;methoxymethane
CID 141979492
2-Aminoacetaldehyde;ethane
CID 142042838
2-Aminoacetaldehyde;ethane;propan-1-amine
CID 142274346
2-Aminoacetaldehyde;methoxyethane
CID 142602170
2-Aminobutanal;methoxymethane
CID 143195506
Acetaldehyde;2-propoxyethanamine
CID 143334114

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;1-methoxypropane?
The IUPAC name of 2-aminoacetaldehyde;1-methoxypropane (CID 142289100) is 2-aminoacetaldehyde;1-methoxypropane.
What is the SMILES notation for 2-aminoacetaldehyde;1-methoxypropane?
The canonical SMILES for 2-aminoacetaldehyde;1-methoxypropane is CCCOC.NCC=O.
What is the InChIKey of 2-aminoacetaldehyde;1-methoxypropane?
The InChIKey is BROYNRANUXSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H5NO/c1-3-4-5-2;3-1-2-4/h3-4H2,1-2H3;2H,1,3H2.
What are the key properties of 2-aminoacetaldehyde;1-methoxypropane?
2-aminoacetaldehyde;1-methoxypropane has a molecular weight of 133.19 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;1-methoxypropane is sourced from PubChem (CID 142289100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).