3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine

C19H37N3O2 — CID 109381780

IUPAC3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine
SMILESCCCOC1(C/N=C(\NCC)N(C)CC2CCOC2)CCCCC1
InChIInChI=1S/C19H37N3O2/c1-4-12-24-19(10-7-6-8-11-19)16-21-18(20-5-2)22(3)14-17-9-13-23-15-17/h17H,4-16H2,1-3H3,(H,20,21)
InChIKeyRFMKGVKDLRECRT-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.05
Rot. Bonds8

About 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine

3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine (PubChem CID 109381780) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine
PubChem CID109381780
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine
SMILESCCCOC1(C/N=C(\NCC)N(C)CC2CCOC2)CCCCC1
InChIInChI=1S/C19H37N3O2/c1-4-12-24-19(10-7-6-8-11-19)16-21-18(20-5-2)22(3)14-17-9-13-23-15-17/h17H,4-16H2,1-3H3,(H,20,21)
InChIKeyRFMKGVKDLRECRT-UHFFFAOYSA-N
XLogP3.05
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
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

3-ethyl-2-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381778
3-ethyl-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386370
3-ethyl-2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382589
2-butyl-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383682
2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383707
2-(2-cyclopropylethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381799
2-[2-[cyclohexyl(methyl)amino]ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382871
2-[7-(dimethylamino)heptyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385719
3-ethyl-1-methyl-2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109382150
3-ethyl-2-[(4-ethylcyclohexyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386185
3-ethyl-1-methyl-2-[(2-methylcyclohexyl)methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109383614
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 109384933

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine?
The IUPAC name of 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine (CID 109381780) is 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine?
The canonical SMILES for 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine is CCCOC1(C/N=C(\NCC)N(C)CC2CCOC2)CCCCC1.
What is the InChIKey of 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine?
The InChIKey is RFMKGVKDLRECRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-4-12-24-19(10-7-6-8-11-19)16-21-18(20-5-2)22(3)14-17-9-13-23-15-17/h17H,4-16H2,1-3H3,(H,20,21).
What are the key properties of 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine?
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine has a molecular weight of 339.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(1-propoxycyclohexyl)methyl]guanidine is sourced from PubChem (CID 109381780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).