2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine

C14H22N4 — CID 110911444

IUPAC2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESNC(N)=NCC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C14H22N4/c15-14(16)17-10-13-7-9-18(11-13)8-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H4,15,16,17)
InChIKeyMUNYPVGRTBGEST-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.82
Rot. Bonds5

About 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine

2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine (PubChem CID 110911444) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
PubChem CID110911444
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESNC(N)=NCC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C14H22N4/c15-14(16)17-10-13-7-9-18(11-13)8-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H4,15,16,17)
InChIKeyMUNYPVGRTBGEST-UHFFFAOYSA-N
XLogP0.82
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.82
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

1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110030695
1-tert-butyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086847
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086827
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111086892
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086899
N-ethyl-3-methyl-N'-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]piperidine-1-carboximidamide
CID 111144540
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111354618
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111190685
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
1-ethyl-3-(2-phenylethyl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111135529
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The IUPAC name of 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine (CID 110911444) is 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine.
What is the SMILES notation for 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The canonical SMILES for 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine is NC(N)=NCC1CCN(CCc2ccccc2)C1.
What is the InChIKey of 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The InChIKey is MUNYPVGRTBGEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-14(16)17-10-13-7-9-18(11-13)8-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H4,15,16,17).
What are the key properties of 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine has a molecular weight of 246.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine is sourced from PubChem (CID 110911444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).