3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine

C13H19N3S — CID 105244750

IUPAC3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CC(Cc1csc2ccccc12)NN
InChIInChI=1S/C13H19N3S/c1-16(2)8-11(15-14)7-10-9-17-13-6-4-3-5-12(10)13/h3-6,9,11,15H,7-8,14H2,1-2H3
InChIKeyCRRJKWAGCKUOCR-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.84
Rot. Bonds5

About 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine

3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine (PubChem CID 105244750) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
PubChem CID105244750
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
SMILESCN(C)CC(Cc1csc2ccccc12)NN
InChIInChI=1S/C13H19N3S/c1-16(2)8-11(15-14)7-10-9-17-13-6-4-3-5-12(10)13/h3-6,9,11,15H,7-8,14H2,1-2H3
InChIKeyCRRJKWAGCKUOCR-UHFFFAOYSA-N
XLogP1.84
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
CID 105214923
[1-(1-benzothiophen-3-yl)-4-methoxypentan-2-yl]hydrazine
CID 105267059
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105291750
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-N-(1-benzothiophen-3-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944902
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688
[2-(1-benzothiophen-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
CID 105291757
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
1-(1-benzothiophen-3-yl)-4-(dimethylamino)butan-2-ol
CID 113291149
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811
1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062515

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine (CID 105244750) is 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine is CN(C)CC(Cc1csc2ccccc12)NN.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine?
The InChIKey is CRRJKWAGCKUOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-16(2)8-11(15-14)7-10-9-17-13-6-4-3-5-12(10)13/h3-6,9,11,15H,7-8,14H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine?
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 105244750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).