N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide

C17H26IN3 — CID 111770663

IUPACN'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1c1ccccc1C)N1CCCC1.I
InChIInChI=1S/C17H25N3.HI/c1-3-18-17(20-10-6-7-11-20)19-16-12-15(16)14-9-5-4-8-13(14)2;/h4-5,8-9,15-16H,3,6-7,10-12H2,1-2H3,(H,18,19);1H
InChIKeyACDWEEPZFSFZKW-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.53
Rot. Bonds3

About N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide

N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111770663) has the molecular formula C17H26IN3 and a molecular weight of 399.32 g/mol. Its IUPAC name is N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111770663
Molecular FormulaC17H26IN3
Molecular Weight399.32 g/mol
Exact Mass399.12
IUPAC NameN'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CC1c1ccccc1C)N1CCCC1.I
InChIInChI=1S/C17H25N3.HI/c1-3-18-17(20-10-6-7-11-20)19-16-12-15(16)14-9-5-4-8-13(14)2;/h4-5,8-9,15-16H,3,6-7,10-12H2,1-2H3,(H,18,19);1H
InChIKeyACDWEEPZFSFZKW-UHFFFAOYSA-N
XLogP3.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449846
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
N'-ethyl-N-(2-methylcyclopropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480658
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346440
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111346441
2-ethyl-1-(3-ethylsulfinylcyclohexyl)-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 109440834
N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide
CID 111321640
N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207651
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111748478
1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771296
2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111456517

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111770663) is N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide is CC/N=C(/NC1CC1c1ccccc1C)N1CCCC1.I.
What is the InChIKey of N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ACDWEEPZFSFZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.HI/c1-3-18-17(20-10-6-7-11-20)19-16-12-15(16)14-9-5-4-8-13(14)2;/h4-5,8-9,15-16H,3,6-7,10-12H2,1-2H3,(H,18,19);1H.
What are the key properties of N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide?
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111770663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).