N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine

C11H21N3S — CID 135934644

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCCN1CCCC1C/N=C1/NC(C)CS1
InChIInChI=1S/C11H21N3S/c1-3-14-6-4-5-10(14)7-12-11-13-9(2)8-15-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyCYCLYOVQKBNPNN-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.55
Rot. Bonds3

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 135934644) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
PubChem CID135934644
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCCN1CCCC1C/N=C1/NC(C)CS1
InChIInChI=1S/C11H21N3S/c1-3-14-6-4-5-10(14)7-12-11-13-9(2)8-15-11/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyCYCLYOVQKBNPNN-UHFFFAOYSA-N
XLogP1.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.55
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-tert-butyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136848047
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136989165
2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
CID 59851432
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136696721
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
N-cyclopropyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934531
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
2-[(1-ethylpiperidin-2-yl)methyl]-2,4-dimethyl-1,3-oxazolidine
CID 117228082
1,2-diethylpiperidine
CID 19604037

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine (CID 135934644) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine is CCN1CCCC1C/N=C1/NC(C)CS1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is CYCLYOVQKBNPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-3-14-6-4-5-10(14)7-12-11-13-9(2)8-15-11/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 227.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).