2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide

C18H36IN3O — CID 109471021

IUPAC2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1(CCOCC)CC1)NCC1(CC)CCC1.I
InChIInChI=1S/C18H35N3O.HI/c1-4-17(8-7-9-17)14-20-16(19-5-2)21-15-18(10-11-18)12-13-22-6-3;/h4-15H2,1-3H3,(H2,19,20,21);1H
InChIKeyCLIKPVMAGQPGEF-UHFFFAOYSA-N
MW437.41 g/mol
LogP3.95
Rot. Bonds10

About 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide

2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide (PubChem CID 109471021) has the molecular formula C18H36IN3O and a molecular weight of 437.41 g/mol. Its IUPAC name is 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
PubChem CID109471021
Molecular FormulaC18H36IN3O
Molecular Weight437.41 g/mol
Exact Mass437.19
IUPAC Name2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1(CCOCC)CC1)NCC1(CC)CCC1.I
InChIInChI=1S/C18H35N3O.HI/c1-4-17(8-7-9-17)14-20-16(19-5-2)21-15-18(10-11-18)12-13-22-6-3;/h4-15H2,1-3H3,(H2,19,20,21);1H
InChIKeyCLIKPVMAGQPGEF-UHFFFAOYSA-N
XLogP3.95
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine
CID 109470204
2-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109408363
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
CID 109470756
2-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine
CID 109408364
1-(3-ethoxypropyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469390
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
CID 109468634
1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylguanidine
CID 109470520
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxyethyl)guanidine
CID 109469706
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine;hydroiodide
CID 109470205
2-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496903
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methoxyethyl)guanidine
CID 109477564
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-3-ethylguanidine
CID 109495757

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide (CID 109471021) is 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide is CCN/C(=N\CC1(CCOCC)CC1)NCC1(CC)CCC1.I.
What is the InChIKey of 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide?
The InChIKey is CLIKPVMAGQPGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O.HI/c1-4-17(8-7-9-17)14-20-16(19-5-2)21-15-18(10-11-18)12-13-22-6-3;/h4-15H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide?
2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide has a molecular weight of 437.41 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109471021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).