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'}

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

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).