2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine

C13H20N4 — CID 59851564

IUPAC2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESNC(N)=NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C13H20N4/c14-13(15)16-12(10-17-8-4-5-9-17)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H4,14,15,16)
InChIKeyHLZZSXUGTDKIEE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.10
Rot. Bonds4

About 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine

2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 59851564) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID59851564
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESNC(N)=NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C13H20N4/c14-13(15)16-12(10-17-8-4-5-9-17)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H4,14,15,16)
InChIKeyHLZZSXUGTDKIEE-UHFFFAOYSA-N
XLogP1.10
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(1-piperidin-1-ylpropan-2-yl)benzenecarboximidamide
CID 63177667
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
CID 63181616
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
(2R,3R)-3-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)propanenitrile
CID 94173528
2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 110884525
(2S,3S)-3-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)propanenitrile
CID 94173527
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
CID 177487208
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine (CID 59851564) is 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine is NC(N)=NC(CN1CCCC1)c1ccccc1.
What is the InChIKey of 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is HLZZSXUGTDKIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-13(15)16-12(10-17-8-4-5-9-17)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H4,14,15,16).
What are the key properties of 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 232.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 59851564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).