3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C21H33IN4 — CID 111725310

IUPAC3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCN(C2CC2)C1)N1CCC(Cc2ccccc2)C1.I
InChIInChI=1S/C21H32N4.HI/c1-22-21(23-14-19-10-11-24(16-19)20-7-8-20)25-12-9-18(15-25)13-17-5-3-2-4-6-17;/h2-6,18-20H,7-16H2,1H3,(H,22,23);1H
InChIKeySGGAAGYPGNRSMP-UHFFFAOYSA-N
MW468.43 g/mol
LogP3.23
Rot. Bonds5

About 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111725310) has the molecular formula C21H33IN4 and a molecular weight of 468.43 g/mol. Its IUPAC name is 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111725310
Molecular FormulaC21H33IN4
Molecular Weight468.43 g/mol
Exact Mass468.17
IUPAC Name3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCN(C2CC2)C1)N1CCC(Cc2ccccc2)C1.I
InChIInChI=1S/C21H32N4.HI/c1-22-21(23-14-19-10-11-24(16-19)20-7-8-20)25-12-9-18(15-25)13-17-5-3-2-4-6-17;/h2-6,18-20H,7-16H2,1H3,(H,22,23);1H
InChIKeySGGAAGYPGNRSMP-UHFFFAOYSA-N
XLogP3.23
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 53.23
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'}

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Related Compounds

3-benzyl-N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111724653
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-benzyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725622
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-benzyl-N'-methylpyrrolidine-1-carboximidamide
CID 111725623
3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111725187
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153173
3-benzyl-N'-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725630
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 111724827
methyl 6-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 111724452
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111199352
3-benzyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724782
3-benzyl-N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725338
3-[[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111725008

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 111725310) is 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCC1CCN(C2CC2)C1)N1CCC(Cc2ccccc2)C1.I.
What is the InChIKey of 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is SGGAAGYPGNRSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4.HI/c1-22-21(23-14-19-10-11-24(16-19)20-7-8-20)25-12-9-18(15-25)13-17-5-3-2-4-6-17;/h2-6,18-20H,7-16H2,1H3,(H,22,23);1H.
What are the key properties of 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 468.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111725310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).