N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide

C16H23N3 — CID 110956792

IUPACN'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1c1ccccc1)N1CCCC1
InChIInChI=1S/C16H23N3/c1-2-17-16(19-10-6-7-11-19)18-15-12-14(15)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,17,18)
InChIKeyRZOBNWCSGZZEDC-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.60
Rot. Bonds3

About N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide

N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide (PubChem CID 110956792) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
PubChem CID110956792
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
SMILESCC/N=C(/NC1CC1c1ccccc1)N1CCCC1
InChIInChI=1S/C16H23N3/c1-2-17-16(19-10-6-7-11-19)18-15-12-14(15)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,17,18)
InChIKeyRZOBNWCSGZZEDC-UHFFFAOYSA-N
XLogP2.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.60
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'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770663
N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-hydroxypiperidine-1-carboximidamide
CID 111321640
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
tert-butyl N-[1-[N'-ethyl-N-(2-phenylcyclopropyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730451
1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 110967358
N-[2-(4-bromophenyl)cyclopropyl]-N'-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207651
N'-methyl-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111723639
1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110946243
N'-methyl-4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboximidamide;hydroiodide
CID 110962172
N'-ethyl-N-[2-(2-fluorophenyl)cyclopropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111346441
N'-methyl-N-(2-phenylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376583
N'-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
CID 111346472

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide (CID 110956792) is N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide is CC/N=C(/NC1CC1c1ccccc1)N1CCCC1.
What is the InChIKey of N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide?
The InChIKey is RZOBNWCSGZZEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-17-16(19-10-6-7-11-19)18-15-12-14(15)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,17,18).
What are the key properties of N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide?
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide has a molecular weight of 257.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).