N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide

C14H20N4 — CID 116513553

IUPACN-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide
SMILESNN/C(=N\C1CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H20N4/c15-17-14(16-13-6-7-13)18-9-8-12(10-18)11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChIKeyDRNOLBVOGKBYNK-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.46
Rot. Bonds2

About N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide

N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 116513553) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide
PubChem CID116513553
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide
SMILESNN/C(=N\C1CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H20N4/c15-17-14(16-13-6-7-13)18-9-8-12(10-18)11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChIKeyDRNOLBVOGKBYNK-UHFFFAOYSA-N
XLogP1.46
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-3-phenyl-N'-propylpyrrolidine-1-carboximidamide
CID 116513546
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-amino-N'-(3-ethoxypropyl)-3-phenylpyrrolidine-1-carboximidamide
CID 116513545
2-oxo-2-(3-phenylpyrrolidin-1-yl)acetohydrazide
CID 62133796
N-amino-N'-cyclopropyl-1,3-dihydroisoindole-2-carboximidamide
CID 116513680
N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
CID 104884388
N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722895
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 119142523
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111723639
4-oxo-4-(3-phenylpyrrolidin-1-yl)but-2-enoic acid
CID 74894511

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide (CID 116513553) is N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide is NN/C(=N\C1CC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is DRNOLBVOGKBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-17-14(16-13-6-7-13)18-9-8-12(10-18)11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17).
What are the key properties of N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide?
N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 244.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 116513553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).