2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine

C21H34N4O2 — CID 111785027

IUPAC2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESC/N=C(\NCCOCC1CCCO1)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C21H34N4O2/c1-22-21(23-11-15-26-17-19-10-7-14-27-19)24-16-20(25-12-5-6-13-25)18-8-3-2-4-9-18/h2-4,8-9,19-20H,5-7,10-17H2,1H3,(H2,22,23,24)
InChIKeyIHKMHFIAIKJZIL-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.18
Rot. Bonds9

About 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine

2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 111785027) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID111785027
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESC/N=C(\NCCOCC1CCCO1)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C21H34N4O2/c1-22-21(23-11-15-26-17-19-10-7-14-27-19)24-16-20(25-12-5-6-13-25)18-8-3-2-4-9-18/h2-4,8-9,19-20H,5-7,10-17H2,1H3,(H2,22,23,24)
InChIKeyIHKMHFIAIKJZIL-UHFFFAOYSA-N
XLogP2.18
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545682
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326920
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111785223
1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407716
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111783436
1-ethyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111785455
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111786771
2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111798001
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029813
1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111765320
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326596
1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine (CID 111785027) is 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine is C/N=C(\NCCOCC1CCCO1)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is IHKMHFIAIKJZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-22-21(23-11-15-26-17-19-10-7-14-27-19)24-16-20(25-12-5-6-13-25)18-8-3-2-4-9-18/h2-4,8-9,19-20H,5-7,10-17H2,1H3,(H2,22,23,24).
What are the key properties of 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 374.53 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 111785027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).