1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine

C18H35N3O — CID 109470204

IUPAC1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine
SMILESCCN/C(=N\CC1(CCOC)CCC1)NCC1(CC)CCC1
InChIInChI=1S/C18H35N3O/c1-4-17(8-6-9-17)14-20-16(19-5-2)21-15-18(10-7-11-18)12-13-22-3/h4-15H2,1-3H3,(H2,19,20,21)
InChIKeyPUQCNJVDNCJJIE-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.33
Rot. Bonds9

About 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine

1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine (PubChem CID 109470204) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine
PubChem CID109470204
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine
SMILESCCN/C(=N\CC1(CCOC)CCC1)NCC1(CC)CCC1
InChIInChI=1S/C18H35N3O/c1-4-17(8-6-9-17)14-20-16(19-5-2)21-15-18(10-7-11-18)12-13-22-3/h4-15H2,1-3H3,(H2,19,20,21)
InChIKeyPUQCNJVDNCJJIE-UHFFFAOYSA-N
XLogP3.33
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109471021
1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylguanidine
CID 109470520
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methoxyethyl)guanidine
CID 109477564
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
CID 109470756
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 109470854
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxyethyl)guanidine
CID 109469706
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
CID 109468634
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-propylguanidine
CID 109477756
1-(cyclopropylmethyl)-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109476862
methyl 7-[[N-ethyl-N'-[(1-ethylcyclobutyl)methyl]carbamimidoyl]amino]heptanoate
CID 109469119
3-[[[ethylamino-[[1-(2-methoxyethyl)cyclopentyl]methylamino]methylidene]amino]methyl]benzamide
CID 109451689
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine;hydroiodide
CID 109470205

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine (CID 109470204) is 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine is CCN/C(=N\CC1(CCOC)CCC1)NCC1(CC)CCC1.
What is the InChIKey of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine?
The InChIKey is PUQCNJVDNCJJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-4-17(8-6-9-17)14-20-16(19-5-2)21-15-18(10-7-11-18)12-13-22-3/h4-15H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine?
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine has a molecular weight of 309.50 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine is sourced from PubChem (CID 109470204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).