2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine

C17H26N4 — CID 111046131

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine
SMILESCCN1CCCC1C/N=C(\N)NC1CC1c1ccccc1
InChIInChI=1S/C17H26N4/c1-2-21-10-6-9-14(21)12-19-17(18)20-16-11-15(16)13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3,(H3,18,19,20)
InChIKeyYIPZTCBNKZGBCY-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.93
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine (PubChem CID 111046131) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine
PubChem CID111046131
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine
SMILESCCN1CCCC1C/N=C(\N)NC1CC1c1ccccc1
InChIInChI=1S/C17H26N4/c1-2-21-10-6-9-14(21)12-19-17(18)20-16-11-15(16)13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3,(H3,18,19,20)
InChIKeyYIPZTCBNKZGBCY-UHFFFAOYSA-N
XLogP1.93
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.93
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-[2-(3-chlorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111818868
1-[2-(3-chlorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111818867
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-phenylcyclopropyl)guanidine
CID 111262495
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111818754
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110912442
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111263084
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine
CID 122098248
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822778
1-(2,6-diethylphenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111026543
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
1-[2-(benzenesulfonamido)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111043928
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine (CID 111046131) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine is CCN1CCCC1C/N=C(\N)NC1CC1c1ccccc1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine?
The InChIKey is YIPZTCBNKZGBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-21-10-6-9-14(21)12-19-17(18)20-16-11-15(16)13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3,(H3,18,19,20).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine has a molecular weight of 286.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111046131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).