2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide

C16H21N3S — CID 81275974

IUPAC2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(C)Cc2cccs2)cc1C
InChIInChI=1S/C16H21N3S/c1-11-9-13(6-7-15(11)16(17)18)19(3)12(2)10-14-5-4-8-20-14/h4-9,12H,10H2,1-3H3,(H3,17,18)
InChIKeyQXRMWGYEZGFGSZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.41
Rot. Bonds5

About 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide

2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide (PubChem CID 81275974) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
PubChem CID81275974
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(C)Cc2cccs2)cc1C
InChIInChI=1S/C16H21N3S/c1-11-9-13(6-7-15(11)16(17)18)19(3)12(2)10-14-5-4-8-20-14/h4-9,12H,10H2,1-3H3,(H3,17,18)
InChIKeyQXRMWGYEZGFGSZ-UHFFFAOYSA-N
XLogP3.41
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 79476306
2-methyl-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 81279169
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 79476522
2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 81276573
1-(2,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488668
5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
CID 104535249
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzenecarboximidamide
CID 81279443
4-hydroxy-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103865710
1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 115940490
2-methyl-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 81278369
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide (CID 81275974) is 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)C(C)Cc2cccs2)cc1C.
What is the InChIKey of 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide?
The InChIKey is QXRMWGYEZGFGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11-9-13(6-7-15(11)16(17)18)19(3)12(2)10-14-5-4-8-20-14/h4-9,12H,10H2,1-3H3,(H3,17,18).
What are the key properties of 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide?
2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide has a molecular weight of 287.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 81275974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).