3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine

C18H36N4O2 — CID 109386731

IUPAC3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCN(CCOC)CC1)N(C)CC1CCOC1
InChIInChI=1S/C18H36N4O2/c1-4-19-18(21(2)14-17-7-11-24-15-17)20-13-16-5-8-22(9-6-16)10-12-23-3/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyZRTDVIJWRZGFDH-UHFFFAOYSA-N
MW340.51 g/mol
LogP1.28
Rot. Bonds8

About 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine

3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109386731) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109386731
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCN(CCOC)CC1)N(C)CC1CCOC1
InChIInChI=1S/C18H36N4O2/c1-4-19-18(21(2)14-17-7-11-24-15-17)20-13-16-5-8-22(9-6-16)10-12-23-3/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyZRTDVIJWRZGFDH-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386453
3-ethyl-2-[(4-ethylcyclohexyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386185
3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109386933
3-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383389
3-ethyl-2-[4-(2-methoxyethoxy)butyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386877
3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386932
3-ethyl-1-methyl-2-[(2-methylcyclohexyl)methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109383614
2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383707
2-butyl-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383682
3-ethyl-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109382150
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385730
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 109385084

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine (CID 109386731) is 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine is CCN/C(=N\CC1CCN(CCOC)CC1)N(C)CC1CCOC1.
What is the InChIKey of 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is ZRTDVIJWRZGFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-4-19-18(21(2)14-17-7-11-24-15-17)20-13-16-5-8-22(9-6-16)10-12-23-3/h16-17H,4-15H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 340.51 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109386731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).