2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine

C14H31N3O3 — CID 75532516

IUPAC2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine
SMILESCCOCCC/N=C(/NCCCCOC)NCCOC
InChIInChI=1S/C14H31N3O3/c1-4-20-12-7-9-16-14(17-10-13-19-3)15-8-5-6-11-18-2/h4-13H2,1-3H3,(H2,15,16,17)
InChIKeyULCFQLYRNOHFAY-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.02
Rot. Bonds13

About 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine

2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine (PubChem CID 75532516) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine
PubChem CID75532516
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Name2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine
SMILESCCOCCC/N=C(/NCCCCOC)NCCOC
InChIInChI=1S/C14H31N3O3/c1-4-20-12-7-9-16-14(17-10-13-19-3)15-8-5-6-11-18-2/h4-13H2,1-3H3,(H2,15,16,17)
InChIKeyULCFQLYRNOHFAY-UHFFFAOYSA-N
XLogP1.02
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine (CID 75532516) is 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine is CCOCCC/N=C(/NCCCCOC)NCCOC.
What is the InChIKey of 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine?
The InChIKey is ULCFQLYRNOHFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-4-20-12-7-9-16-14(17-10-13-19-3)15-8-5-6-11-18-2/h4-13H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine?
2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine has a molecular weight of 289.42 g/mol, XLogP of 1.02, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 75532516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).