N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

C21H33IN4 — CID 119162459

IUPACN-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1Cc1ccccc1)N1CCC(CN2CCCC2)C1.I
InChIInChI=1S/C21H32N4.HI/c1-22-21(23-20-14-19(20)13-17-7-3-2-4-8-17)25-12-9-18(16-25)15-24-10-5-6-11-24;/h2-4,7-8,18-20H,5-6,9-16H2,1H3,(H,22,23);1H
InChIKeyPUNABLLHQUMXCF-UHFFFAOYSA-N
MW468.43 g/mol
LogP3.23
Rot. Bonds5

About N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119162459) has the molecular formula C21H33IN4 and a molecular weight of 468.43 g/mol. Its IUPAC name is N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119162459
Molecular FormulaC21H33IN4
Molecular Weight468.43 g/mol
Exact Mass468.17
IUPAC NameN-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NC1CC1Cc1ccccc1)N1CCC(CN2CCCC2)C1.I
InChIInChI=1S/C21H32N4.HI/c1-22-21(23-20-14-19(20)13-17-7-3-2-4-8-17)25-12-9-18(16-25)15-24-10-5-6-11-24;/h2-4,7-8,18-20H,5-6,9-16H2,1H3,(H,22,23);1H
InChIKeyPUNABLLHQUMXCF-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

N-(2-benzylcyclopropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119138382
N-(2-benzylcyclopropyl)-3-(2,5-dihydropyrrol-1-yl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119162491
N-(2-benzylcyclopropyl)-3-(2,5-dihydropyrrol-1-yl)-N'-methylpyrrolidine-1-carboximidamide
CID 119162492
N-(2-benzylcyclopropyl)-N'-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119161477
N-(2-benzylcyclopropyl)-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119162483
N-(2-benzylcyclopropyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119161308
N-[(4-bromophenyl)methyl]-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111978469
N-(2-benzylcyclopropyl)-N'-methyl-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carboximidamide;hydroiodide
CID 119163023
N'-methyl-N-(2-methylcyclopropyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748799
N'-methyl-3-(phenylmethoxymethyl)-N-(4-pyrrolidin-1-ylbutyl)pyrrolidine-1-carboximidamide
CID 111526016
3-benzyl-N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111724653
3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111725187

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 119162459) is N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NC1CC1Cc1ccccc1)N1CCC(CN2CCCC2)C1.I.
What is the InChIKey of N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is PUNABLLHQUMXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4.HI/c1-22-21(23-20-14-19(20)13-17-7-3-2-4-8-17)25-12-9-18(16-25)15-24-10-5-6-11-24;/h2-4,7-8,18-20H,5-6,9-16H2,1H3,(H,22,23);1H.
What are the key properties of N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-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 N-(2-benzylcyclopropyl)-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119162459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).