1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine

C19H31N3O2 — CID 111776660

IUPAC1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCCN/C(=N\CCCOCCOC)NC1CC1c1ccccc1C
InChIInChI=1S/C19H31N3O2/c1-4-20-19(21-10-7-11-24-13-12-23-3)22-18-14-17(18)16-9-6-5-8-15(16)2/h5-6,8-9,17-18H,4,7,10-14H2,1-3H3,(H2,20,21,22)
InChIKeyGQDPRBOAFKXOQT-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.46
Rot. Bonds10

About 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine

1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine (PubChem CID 111776660) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
PubChem CID111776660
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCCN/C(=N\CCCOCCOC)NC1CC1c1ccccc1C
InChIInChI=1S/C19H31N3O2/c1-4-20-19(21-10-7-11-24-13-12-23-3)22-18-14-17(18)16-9-6-5-8-15(16)2/h5-6,8-9,17-18H,4,7,10-14H2,1-3H3,(H2,20,21,22)
InChIKeyGQDPRBOAFKXOQT-UHFFFAOYSA-N
XLogP2.46
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111773586
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405667
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
CID 110976217
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
CID 111962055
2-(4-ethoxybutyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111946038
1-[2-(4-bromophenyl)cyclopropyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110975421
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 109431887
1-[2-(2,6-dimethylphenoxy)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404214
2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111456517
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111896762
1-[2-(2-fluorophenyl)cyclopropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405267

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine (CID 111776660) is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The canonical SMILES for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine is CCN/C(=N\CCCOCCOC)NC1CC1c1ccccc1C.
What is the InChIKey of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The InChIKey is GQDPRBOAFKXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-20-19(21-10-7-11-24-13-12-23-3)22-18-14-17(18)16-9-6-5-8-15(16)2/h5-6,8-9,17-18H,4,7,10-14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine has a molecular weight of 333.48 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111776660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).