N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide

C21H25N3 — CID 111723639

IUPACN'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1c1ccccc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H25N3/c1-22-21(23-20-14-19(20)17-10-6-3-7-11-17)24-13-12-18(15-24)16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3,(H,22,23)
InChIKeySUOWDAPCGIGFHU-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.61
Rot. Bonds3

About N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide

N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide (PubChem CID 111723639) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
PubChem CID111723639
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1c1ccccc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H25N3/c1-22-21(23-20-14-19(20)17-10-6-3-7-11-17)24-13-12-18(15-24)16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3,(H,22,23)
InChIKeySUOWDAPCGIGFHU-UHFFFAOYSA-N
XLogP3.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.61
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'}

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Related Compounds

N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722895
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 119142523
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 110962172
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
CID 111346472
N'-methyl-N-(2-phenylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376583
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723934
N'-methyl-3-phenyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111992856
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 119155019
N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111724300

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide (CID 111723639) is N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide is C/N=C(/NC1CC1c1ccccc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide?
The InChIKey is SUOWDAPCGIGFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-22-21(23-20-14-19(20)17-10-6-3-7-11-17)24-13-12-18(15-24)16-8-4-2-5-9-16/h2-11,18-20H,12-15H2,1H3,(H,22,23).
What are the key properties of N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide?
N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide has a molecular weight of 319.45 g/mol, XLogP of 3.61, 3 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-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111723639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).