1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine

C19H38N4O2 — CID 111407767

IUPAC1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)CN1CCCC1)NCCCOCC1CCCO1
InChIInChI=1S/C19H38N4O2/c1-3-20-19(22-14-17(2)15-23-10-4-5-11-23)21-9-7-12-24-16-18-8-6-13-25-18/h17-18H,3-16H2,1-2H3,(H2,20,21,22)
InChIKeyJJJZIDPOMZORNH-UHFFFAOYSA-N
MW354.54 g/mol
LogP1.86
Rot. Bonds11

About 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine

1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine (PubChem CID 111407767) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
PubChem CID111407767
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Name1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)CN1CCCC1)NCCCOCC1CCCO1
InChIInChI=1S/C19H38N4O2/c1-3-20-19(22-14-17(2)15-23-10-4-5-11-23)21-9-7-12-24-16-18-8-6-13-25-18/h17-18H,3-16H2,1-2H3,(H2,20,21,22)
InChIKeyJJJZIDPOMZORNH-UHFFFAOYSA-N
XLogP1.86
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 51.86
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'}

Analyze 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111409361
2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407768
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110976383
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409694
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409631
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 110976653
1-ethyl-3-(4-methylpentyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408774
1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111407613
1-ethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409828
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408874
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine (CID 111407767) is 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine is CCN/C(=N\CC(C)CN1CCCC1)NCCCOCC1CCCO1.
What is the InChIKey of 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
The InChIKey is JJJZIDPOMZORNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-3-20-19(22-14-17(2)15-23-10-4-5-11-23)21-9-7-12-24-16-18-8-6-13-25-18/h17-18H,3-16H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine?
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine has a molecular weight of 354.54 g/mol, XLogP of 1.86, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111407767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).