2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine

C12H25N3O2 — CID 111041849

IUPAC2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\N)NCCC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-2-16-9-4-7-14-12(13)15-8-6-11-5-3-10-17-11/h11H,2-10H2,1H3,(H3,13,14,15)
InChIKeyPGIIYYFUNQEIFC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds8

About 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine

2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 111041849) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID111041849
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\N)NCCC1CCCO1
InChIInChI=1S/C12H25N3O2/c1-2-16-9-4-7-14-12(13)15-8-6-11-5-3-10-17-11/h11H,2-10H2,1H3,(H3,13,14,15)
InChIKeyPGIIYYFUNQEIFC-UHFFFAOYSA-N
XLogP0.89
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
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-octyl-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041837
1-hexyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111035993
2-(3-morpholin-4-ylpropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041853
2-(3-morpholin-4-ylpropyl)-1-[2-(oxan-2-yl)ethyl]guanidine
CID 110018736
1-(2-cycloheptyloxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111575872
1-(3-methylbutyl)-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018751
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 104883123
1-(2-ethoxyethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407644
1-(3-ethoxypropyl)-2-(3-octoxypropyl)guanidine
CID 111084645
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111036029

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine (CID 111041849) is 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine is CCOCCC/N=C(\N)NCCC1CCCO1.
What is the InChIKey of 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is PGIIYYFUNQEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-16-9-4-7-14-12(13)15-8-6-11-5-3-10-17-11/h11H,2-10H2,1H3,(H3,13,14,15).
What are the key properties of 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine?
2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 243.35 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111041849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).