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

C13H21IN4 — CID 110884525

IUPAC2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESI.NC(N)=NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C13H20N4.HI/c14-13(15)16-10-12(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);1H
InChIKeyXTVZWBOZKXHVSR-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.71
Rot. Bonds4

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

2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 110884525) has the molecular formula C13H21IN4 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
PubChem CID110884525
Molecular FormulaC13H21IN4
Molecular Weight360.24 g/mol
Exact Mass360.08
IUPAC Name2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESI.NC(N)=NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C13H20N4.HI/c14-13(15)16-10-12(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);1H
InChIKeyXTVZWBOZKXHVSR-UHFFFAOYSA-N
XLogP1.71
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.71
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029763
1,1,3,3-tetramethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029781
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760
1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 110924778
2-(2-methylpropyl)-1-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029757
1-(1-methoxypropan-2-yl)-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029818
tert-butyl 4-[N'-(2-phenyl-2-pyrrolidin-1-ylethyl)carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111029795
3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029765
2-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111029804
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
1-[(1R)-1-phenylpropyl]azepane
CID 97315480

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (CID 110884525) is 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is I.NC(N)=NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is XTVZWBOZKXHVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4.HI/c14-13(15)16-10-12(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);1H.
What are the key properties of 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 360.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110884525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).