3-(dimethylamino)propanal;methanol

C6H15NO2 — CID 170975968

IUPAC3-(dimethylamino)propanal;methanol
SMILESCN(C)CCC=O.CO
InChIInChI=1S/C5H11NO.CH4O/c1-6(2)4-3-5-7;1-2/h5H,3-4H2,1-2H3;2H,1H3
InChIKeyOYRKLHGRPBOCDN-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.25
Rot. Bonds3

About 3-(dimethylamino)propanal;methanol

3-(dimethylamino)propanal;methanol (PubChem CID 170975968) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-(dimethylamino)propanal;methanol.

Molecular Properties

Compound Name3-(dimethylamino)propanal;methanol
PubChem CID170975968
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name3-(dimethylamino)propanal;methanol
SMILESCN(C)CCC=O.CO
InChIInChI=1S/C5H11NO.CH4O/c1-6(2)4-3-5-7;1-2/h5H,3-4H2,1-2H3;2H,1H3
InChIKeyOYRKLHGRPBOCDN-UHFFFAOYSA-N
XLogP-0.25
TPSA40.54 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 ≤ 5-0.25
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

3-(Diethylamino)propanal
CID 429319
3-(Dimethylamino)propanal hydrochloride
CID 141342787
3-(Dimethylamino)propanal
CID 546946
Trimethyl(3-oxopropyl)azanium
CID 19936188
Trimethyl(3-oxopropyl)azanium chloride
CID 21696388
3-[Ethyl(methyl)amino]propanal
CID 54200852
3-(Diethylamino)-3-hydroxypropanal
CID 57028592
3-[Hydroxymethyl(3-oxopropyl)amino]propanal
CID 58322009
3-[Methyl(propyl)amino]propanal
CID 63039583
3-[2-Hydroxypropyl(methyl)amino]propanal
CID 63039812
3-[2-Hydroxyethyl(propyl)amino]propanal
CID 63040169
3-[Ethyl(2-hydroxyethyl)amino]propanal
CID 63040729

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanal;methanol?
The IUPAC name of 3-(dimethylamino)propanal;methanol (CID 170975968) is 3-(dimethylamino)propanal;methanol.
What is the SMILES notation for 3-(dimethylamino)propanal;methanol?
The canonical SMILES for 3-(dimethylamino)propanal;methanol is CN(C)CCC=O.CO.
What is the InChIKey of 3-(dimethylamino)propanal;methanol?
The InChIKey is OYRKLHGRPBOCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH4O/c1-6(2)4-3-5-7;1-2/h5H,3-4H2,1-2H3;2H,1H3.
What are the key properties of 3-(dimethylamino)propanal;methanol?
3-(dimethylamino)propanal;methanol has a molecular weight of 133.19 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanal;methanol is sourced from PubChem (CID 170975968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).