3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide

C12H21N3OS — CID 79494279

IUPAC3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)C(C)Cc1cccs1
InChIInChI=1S/C12H21N3OS/c1-9(7-11-5-4-6-17-11)15(3)10(2)8-12(16)14-13/h4-6,9-10H,7-8,13H2,1-3H3,(H,14,16)
InChIKeyMVOBUBMZBWUWJQ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.38
Rot. Bonds6

About 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide

3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide (PubChem CID 79494279) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide
PubChem CID79494279
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)C(C)Cc1cccs1
InChIInChI=1S/C12H21N3OS/c1-9(7-11-5-4-6-17-11)15(3)10(2)8-12(16)14-13/h4-6,9-10H,7-8,13H2,1-3H3,(H,14,16)
InChIKeyMVOBUBMZBWUWJQ-UHFFFAOYSA-N
XLogP1.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,2-dimethyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanehydrazide
CID 79630513
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
methyl 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexanoate
CID 113373650
3-methyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79491300
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79494200
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide?
The IUPAC name of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide (CID 79494279) is 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide.
What is the SMILES notation for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide?
The canonical SMILES for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide is CC(CC(=O)NN)N(C)C(C)Cc1cccs1.
What is the InChIKey of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide?
The InChIKey is MVOBUBMZBWUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(7-11-5-4-6-17-11)15(3)10(2)8-12(16)14-13/h4-6,9-10H,7-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide?
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide has a molecular weight of 255.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanehydrazide is sourced from PubChem (CID 79494279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).