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

C22H30N4O — CID 111771574

IUPAC1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESC/N=C(\NCC(c1ccco1)N1CCCC1)NC1CC1c1ccccc1C
InChIInChI=1S/C22H30N4O/c1-16-8-3-4-9-17(16)18-14-19(18)25-22(23-2)24-15-20(21-10-7-13-27-21)26-11-5-6-12-26/h3-4,7-10,13,18-20H,5-6,11-12,14-15H2,1-2H3,(H2,23,24,25)
InChIKeyMOPCQSJWVCODPU-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.45
Rot. Bonds6

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

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (PubChem CID 111771574) 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-(2-methylphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
PubChem CID111771574
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESC/N=C(\NCC(c1ccco1)N1CCCC1)NC1CC1c1ccccc1C
InChIInChI=1S/C22H30N4O/c1-16-8-3-4-9-17(16)18-14-19(18)25-22(23-2)24-15-20(21-10-7-13-27-21)26-11-5-6-12-26/h3-4,7-10,13,18-20H,5-6,11-12,14-15H2,1-2H3,(H2,23,24,25)
InChIKeyMOPCQSJWVCODPU-UHFFFAOYSA-N
XLogP3.45
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.45
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)guanidine
CID 111009107
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111008677
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-phenylcyclopropyl)methyl]guanidine
CID 111558599
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-(3-methylbutan-2-yl)guanidine
CID 111001979
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111499884
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111012696
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-prop-2-enylguanidine
CID 110981921
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001946
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111008247

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The IUPAC name of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (CID 111771574) is 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine is C/N=C(\NCC(c1ccco1)N1CCCC1)NC1CC1c1ccccc1C.
What is the InChIKey of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The InChIKey is MOPCQSJWVCODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-8-3-4-9-17(16)18-14-19(18)25-22(23-2)24-15-20(21-10-7-13-27-21)26-11-5-6-12-26/h3-4,7-10,13,18-20H,5-6,11-12,14-15H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 3.45, 6 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-(2-methylphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111771574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).