N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide

C17H25N3 — CID 119142523

IUPACN-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1(C)C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H25N3/c1-17(2)11-15(17)19-16(18-3)20-10-9-14(12-20)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,18,19)
InChIKeyJXABBWKTZGAHEM-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.85
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide

N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 119142523) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
PubChem CID119142523
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1(C)C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H25N3/c1-17(2)11-15(17)19-16(18-3)20-10-9-14(12-20)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,18,19)
InChIKeyJXABBWKTZGAHEM-UHFFFAOYSA-N
XLogP2.85
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.85
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-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143804
N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111723639
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 119139796
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
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
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723934
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111722735
N'-methyl-N-(2-phenoxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723460

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide (CID 119142523) is N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide is C/N=C(/NC1CC1(C)C)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is JXABBWKTZGAHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2)11-15(17)19-16(18-3)20-10-9-14(12-20)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,18,19).
What are the key properties of N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 271.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 119142523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).