2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine

C14H29N3O — CID 111713489

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/CCCOCC)NCC
InChIInChI=1S/C14H29N3O/c1-4-8-12-11-13(12)17-14(15-5-2)16-9-7-10-18-6-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyZMRODYRJPANTMR-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.16
Rot. Bonds9

About 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine

2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine (PubChem CID 111713489) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine
PubChem CID111713489
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1N/C(=N/CCCOCC)NCC
InChIInChI=1S/C14H29N3O/c1-4-8-12-11-13(12)17-14(15-5-2)16-9-7-10-18-6-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyZMRODYRJPANTMR-UHFFFAOYSA-N
XLogP2.16
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.16
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-ethyl-2-(2-methylsulfanylethyl)-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111713572
1-(2-ethoxyethyl)-2-methyl-3-(2-propylcyclopropyl)guanidine
CID 111713493
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111773586
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
1-cyclohexyl-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 110957459
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713694
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
CID 111962055
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713790
2-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
2-(4-ethoxybutyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111946038
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine (CID 111713489) is 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine is CCCC1CC1N/C(=N/CCCOCC)NCC.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine?
The InChIKey is ZMRODYRJPANTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-8-12-11-13(12)17-14(15-5-2)16-9-7-10-18-6-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine?
2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine has a molecular weight of 255.41 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111713489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).