N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C21H28IN3 — CID 111724300

IUPACN'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1ccccc1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C21H27N3.HI/c1-22-21(23-15-8-11-18-9-4-2-5-10-18)24-16-14-20(17-24)19-12-6-3-7-13-19;/h2-7,9-10,12-13,20H,8,11,14-17H2,1H3,(H,22,23);1H
InChIKeyFSQYEAQFODLXNX-UHFFFAOYSA-N
MW449.38 g/mol
LogP4.30
Rot. Bonds5

About N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111724300) has the molecular formula C21H28IN3 and a molecular weight of 449.38 g/mol. Its IUPAC name is N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111724300
Molecular FormulaC21H28IN3
Molecular Weight449.38 g/mol
Exact Mass449.13
IUPAC NameN'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1ccccc1)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C21H27N3.HI/c1-22-21(23-15-8-11-18-9-4-2-5-10-18)24-16-14-20(17-24)19-12-6-3-7-13-19;/h2-7,9-10,12-13,20H,8,11,14-17H2,1H3,(H,22,23);1H
InChIKeyFSQYEAQFODLXNX-UHFFFAOYSA-N
XLogP4.30
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-methyl-3-(1-methylpyrazol-4-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743374
N'-methyl-3-phenyl-N-(4-pyrrolidin-1-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723512
N-(3-ethoxypropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723410
N-[4-(diethylamino)butyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723251
N'-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723198
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
N'-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723828
N'-methyl-3-phenyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111992856
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
tert-butyl N-[3-[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]propyl]carbamate;hydroiodide
CID 111723154
methyl 6-[[N-methyl-C-(3-phenylpyrrolidin-1-yl)carbonimidoyl]amino]hexanoate;hydroiodide
CID 111722696
N'-methyl-N-(2-phenoxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723460

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111724300) is N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCc1ccccc1)N1CCC(c2ccccc2)C1.I.
What is the InChIKey of N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is FSQYEAQFODLXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3.HI/c1-22-21(23-15-8-11-18-9-4-2-5-10-18)24-16-14-20(17-24)19-12-6-3-7-13-19;/h2-7,9-10,12-13,20H,8,11,14-17H2,1H3,(H,22,23);1H.
What are the key properties of N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 449.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111724300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).