N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide

C12H19N3S — CID 110955756

IUPACN-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccs1)N1CCCC1
InChIInChI=1S/C12H19N3S/c1-2-13-12(15-7-3-4-8-15)14-10-11-6-5-9-16-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,13,14)
InChIKeyWEGTUXNIZTXXQQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.31
Rot. Bonds3

About N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 110955756) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID110955756
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccs1)N1CCCC1
InChIInChI=1S/C12H19N3S/c1-2-13-12(15-7-3-4-8-15)14-10-11-6-5-9-16-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,13,14)
InChIKeyWEGTUXNIZTXXQQ-UHFFFAOYSA-N
XLogP2.31
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-ethyl-4-methyl-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111209931
N-ethyl-3,3-dimethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739927
N-ethyl-4-(4-methoxyphenyl)-N'-(thiophen-2-ylmethyl)piperazine-1-carboximidamide
CID 111242137
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 109448637
N-ethyl-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955429
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453208
N'-[(2-chlorophenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955946
N-ethyl-4-(2-hydroxyphenyl)-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111185675
1,3-diethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110914274
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N'-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956764

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide (CID 110955756) is N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1cccs1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is WEGTUXNIZTXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-13-12(15-7-3-4-8-15)14-10-11-6-5-9-16-11/h5-6,9H,2-4,7-8,10H2,1H3,(H,13,14).
What are the key properties of N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 237.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110955756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).