1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine

C22H30N4O — CID 111558599

IUPAC1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine
SMILESC/N=C(/NCC1CC1c1ccccc1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C22H30N4O/c1-23-22(24-15-18-14-19(18)17-8-3-2-4-9-17)25-16-20(21-10-7-13-27-21)26-11-5-6-12-26/h2-4,7-10,13,18-20H,5-6,11-12,14-16H2,1H3,(H2,23,24,25)
InChIKeyJMYJLYNTFICRRO-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.39
Rot. Bonds7

About 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine (PubChem CID 111558599) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine
PubChem CID111558599
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine
SMILESC/N=C(/NCC1CC1c1ccccc1)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C22H30N4O/c1-23-22(24-15-18-14-19(18)17-8-3-2-4-9-17)25-16-20(21-10-7-13-27-21)26-11-5-6-12-26/h2-4,7-10,13,18-20H,5-6,11-12,14-16H2,1H3,(H2,23,24,25)
InChIKeyJMYJLYNTFICRRO-UHFFFAOYSA-N
XLogP3.39
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111558598
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
CID 111009107
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111008677
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111499884
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008177
N-[2-[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111008135
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111304378
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 71931332
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111008247
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981921
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine (CID 111558599) is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine is C/N=C(/NCC1CC1c1ccccc1)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine?
The InChIKey is JMYJLYNTFICRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-23-22(24-15-18-14-19(18)17-8-3-2-4-9-17)25-16-20(21-10-7-13-27-21)26-11-5-6-12-26/h2-4,7-10,13,18-20H,5-6,11-12,14-16H2,1H3,(H2,23,24,25).
What are the key properties of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine?
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[(2-phenylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 111558599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).