N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

C13H22IN3S — CID 111738016

IUPACN',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cccs1)N1CCC(C)(C)C1.I
InChIInChI=1S/C13H21N3S.HI/c1-13(2)6-7-16(10-13)12(14-3)15-9-11-5-4-8-17-11;/h4-5,8H,6-7,9-10H2,1-3H3,(H,14,15);1H
InChIKeyMQQYWXKJILAFMK-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.17
Rot. Bonds2

About N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111738016) has the molecular formula C13H22IN3S and a molecular weight of 379.31 g/mol. Its IUPAC name is N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111738016
Molecular FormulaC13H22IN3S
Molecular Weight379.31 g/mol
Exact Mass379.06
IUPAC NameN',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1cccs1)N1CCC(C)(C)C1.I
InChIInChI=1S/C13H21N3S.HI/c1-13(2)6-7-16(10-13)12(14-3)15-9-11-5-4-8-17-11;/h4-5,8H,6-7,9-10H2,1-3H3,(H,14,15);1H
InChIKeyMQQYWXKJILAFMK-UHFFFAOYSA-N
XLogP3.17
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.17
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3,3-dimethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739927
N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453662
N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738769
N',3-dimethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 111144338
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738770
N-benzyl-2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111739057
N-[(2,3-dimethoxyphenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738665
N',2,2-trimethyl-N-(2-thiophen-2-ylethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109487510
N',3,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738483
2-[[6-azaspiro[3.4]octan-6-yl-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046950
N',3,3-trimethyl-N-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738797

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111738016) is N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1cccs1)N1CCC(C)(C)C1.I.
What is the InChIKey of N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is MQQYWXKJILAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S.HI/c1-13(2)6-7-16(10-13)12(14-3)15-9-11-5-4-8-17-11;/h4-5,8H,6-7,9-10H2,1-3H3,(H,14,15);1H.
What are the key properties of N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 379.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111738016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).