3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride

C9H14ClNOS — CID 87694662

IUPAC3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride
SMILESCN(C)C(CC=O)c1cccs1.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-10(2)8(5-6-11)9-4-3-7-12-9;/h3-4,6-8H,5H2,1-2H3;1H
InChIKeySACMRZHUZRRHDV-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.36
Rot. Bonds4

About 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride

3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride (PubChem CID 87694662) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride
PubChem CID87694662
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride
SMILESCN(C)C(CC=O)c1cccs1.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-10(2)8(5-6-11)9-4-3-7-12-9;/h3-4,6-8H,5H2,1-2H3;1H
InChIKeySACMRZHUZRRHDV-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
3-thiophen-2-ylpentanal
CID 83827070
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-(dimethylamino)-1-thiophen-2-ylpropan-2-one;hydrochloride
CID 68828667
(3S)-4-amino-3-thiophen-2-ylbutanal
CID 143655944
N,N-dimethyl-N'-(methylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621528
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride?
The IUPAC name of 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride (CID 87694662) is 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride is CN(C)C(CC=O)c1cccs1.Cl.
What is the InChIKey of 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride?
The InChIKey is SACMRZHUZRRHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c1-10(2)8(5-6-11)9-4-3-7-12-9;/h3-4,6-8H,5H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride?
3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride is sourced from PubChem (CID 87694662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).