1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine

C13H25N3S — CID 136780751

IUPAC1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCC1(C)CS/C(=N\CC2(N(C)C)CCC2)N1
InChIInChI=1S/C13H25N3S/c1-5-12(2)10-17-11(15-12)14-9-13(16(3)4)7-6-8-13/h5-10H2,1-4H3,(H,14,15)
InChIKeyMMBUOJWKJDCQPH-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.33
Rot. Bonds4

About 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 136780751) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID136780751
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCCC1(C)CS/C(=N\CC2(N(C)C)CCC2)N1
InChIInChI=1S/C13H25N3S/c1-5-12(2)10-17-11(15-12)14-9-13(16(3)4)7-6-8-13/h5-10H2,1-4H3,(H,14,15)
InChIKeyMMBUOJWKJDCQPH-UHFFFAOYSA-N
XLogP2.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136964291
N-[1-[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine
CID 136666974
4-ethyl-4-methyl-N-[(1-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136757430
4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine
CID 137212796
4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867395
1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 136848488
1-[(4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-ylideneamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 136747265
4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine
CID 136883332
N-[2-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylcyclopentanamine
CID 136757242
N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757088
N-[(1-methylcyclopentyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 135998342
4-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136993610

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 136780751) is 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine is CCC1(C)CS/C(=N\CC2(N(C)C)CCC2)N1.
What is the InChIKey of 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is MMBUOJWKJDCQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-12(2)10-17-11(15-12)14-9-13(16(3)4)7-6-8-13/h5-10H2,1-4H3,(H,14,15).
What are the key properties of 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-ethyl-4-methyl-1,3-thiazolidin-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 136780751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).