1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine

C12H25N3O — CID 111713493

IUPAC1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/C)NCCOCC
InChIInChI=1S/C12H25N3O/c1-4-6-10-9-11(10)15-12(13-3)14-7-8-16-5-2/h10-11H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyMZPIBWMYPMPQIK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds7

About 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine

1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine (PubChem CID 111713493) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
PubChem CID111713493
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/C)NCCOCC
InChIInChI=1S/C12H25N3O/c1-4-6-10-9-11(10)15-12(13-3)14-7-8-16-5-2/h10-11H,4-9H2,1-3H3,(H2,13,14,15)
InChIKeyMZPIBWMYPMPQIK-UHFFFAOYSA-N
XLogP1.38
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
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'}

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713498
1-(2-ethylbutyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 111990629
2-methyl-1-(3-phenoxypropyl)-3-(2-propylcyclopropyl)guanidine
CID 111713555
2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine
CID 111713489
1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255944
2-methyl-1-(2-methylcyclopropyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713631
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111693798
1-tert-butyl-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 111547271
1-(2-ethoxyethyl)-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528808
1-(2-ethoxyethyl)-3-hexyl-2-methylguanidine
CID 111161505
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
1-(2-ethoxyethyl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111891019

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine (CID 111713493) is 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N/C)NCCOCC.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine?
The InChIKey is MZPIBWMYPMPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-6-10-9-11(10)15-12(13-3)14-7-8-16-5-2/h10-11H,4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine?
1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111713493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).