5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide

C14H26N4OS — CID 63583743

IUPAC5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)CN(CCN(C)C)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H26N4OS/c1-11(2)9-18(8-7-17(3)4)10-12-5-6-13(20-12)14(19)16-15/h5-6,11H,7-10,15H2,1-4H3,(H,16,19)
InChIKeyRQXJHYVYGFTQFU-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.37
Rot. Bonds8

About 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide

5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63583743) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63583743
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)CN(CCN(C)C)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C14H26N4OS/c1-11(2)9-18(8-7-17(3)4)10-12-5-6-13(20-12)14(19)16-15/h5-6,11H,7-10,15H2,1-4H3,(H,16,19)
InChIKeyRQXJHYVYGFTQFU-UHFFFAOYSA-N
XLogP1.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585748
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
5-[[2-(dimethylamino)ethyl-propylamino]methyl]thiophene-2-carboxylic acid
CID 63377960
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070
5-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63572646
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573242

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide (CID 63583743) is 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide is CC(C)CN(CCN(C)C)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is RQXJHYVYGFTQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-11(2)9-18(8-7-17(3)4)10-12-5-6-13(20-12)14(19)16-15/h5-6,11H,7-10,15H2,1-4H3,(H,16,19).
What are the key properties of 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide?
5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 298.46 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63583743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).