2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine

C10H23N3O2 — CID 103646281

IUPAC2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine
SMILESCOCCOCCC/N=C(\N)NC(C)C
InChIInChI=1S/C10H23N3O2/c1-9(2)13-10(11)12-5-4-6-15-8-7-14-3/h9H,4-8H2,1-3H3,(H3,11,12,13)
InChIKeyHRXZWVPGIOMHCB-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.35
Rot. Bonds8

About 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine

2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine (PubChem CID 103646281) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine
PubChem CID103646281
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine
SMILESCOCCOCCC/N=C(\N)NC(C)C
InChIInChI=1S/C10H23N3O2/c1-9(2)13-10(11)12-5-4-6-15-8-7-14-3/h9H,4-8H2,1-3H3,(H3,11,12,13)
InChIKeyHRXZWVPGIOMHCB-UHFFFAOYSA-N
XLogP0.35
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.35
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-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide
CID 110018543
2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
CID 111035798
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110922455
2-nonyl-1-propan-2-ylguanidine
CID 111034727
1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111035813
1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
1-propan-2-yl-2-(4,4,4-trifluorobutyl)guanidine
CID 79822616
2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine
CID 106162010
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111035824

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine (CID 103646281) is 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine is COCCOCCC/N=C(\N)NC(C)C.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine?
The InChIKey is HRXZWVPGIOMHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-9(2)13-10(11)12-5-4-6-15-8-7-14-3/h9H,4-8H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine?
2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine has a molecular weight of 217.31 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 103646281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).