1,2,3-tris(5-methoxypentyl)guanidine

C19H41N3O3 — CID 102441761

IUPAC1,2,3-tris(5-methoxypentyl)guanidine
SMILESCOCCCCCN=C(NCCCCCOC)NCCCCCOC
InChIInChI=1S/C19H41N3O3/c1-23-16-10-4-7-13-20-19(21-14-8-5-11-17-24-2)22-15-9-6-12-18-25-3/h4-18H2,1-3H3,(H2,20,21,22)
InChIKeyRPPVPYTXPJJGGO-UHFFFAOYSA-N
MW359.56 g/mol
LogP2.97
Rot. Bonds18

About 1,2,3-tris(5-methoxypentyl)guanidine

1,2,3-tris(5-methoxypentyl)guanidine (PubChem CID 102441761) has the molecular formula C19H41N3O3 and a molecular weight of 359.56 g/mol. Its IUPAC name is 1,2,3-tris(5-methoxypentyl)guanidine.

Molecular Properties

Compound Name1,2,3-tris(5-methoxypentyl)guanidine
PubChem CID102441761
Molecular FormulaC19H41N3O3
Molecular Weight359.56 g/mol
Exact Mass359.31
IUPAC Name1,2,3-tris(5-methoxypentyl)guanidine
SMILESCOCCCCCN=C(NCCCCCOC)NCCCCCOC
InChIInChI=1S/C19H41N3O3/c1-23-16-10-4-7-13-20-19(21-14-8-5-11-17-24-2)22-15-9-6-12-18-25-3/h4-18H2,1-3H3,(H2,20,21,22)
InChIKeyRPPVPYTXPJJGGO-UHFFFAOYSA-N
XLogP2.97
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 52.97
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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Related Compounds

1,2,3-trihexylguanidine
CID 173050322
2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
1-(4,4-dimethylpentyl)-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111637964
1-ethyl-3-(5-methoxypentyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642674
1-hexyl-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111161626
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(5-methoxypentyl)guanidine
CID 111197170
1-ethyl-2-(3-methoxypropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110974029
1-ethyl-3-(5-methoxypentyl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645976
1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111351434
1-ethyl-3-(5-methoxypentyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371594
1-ethyl-2-(3-methoxypropyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110975570
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(5-methoxypentyl)guanidine?
The IUPAC name of 1,2,3-tris(5-methoxypentyl)guanidine (CID 102441761) is 1,2,3-tris(5-methoxypentyl)guanidine.
What is the SMILES notation for 1,2,3-tris(5-methoxypentyl)guanidine?
The canonical SMILES for 1,2,3-tris(5-methoxypentyl)guanidine is COCCCCCN=C(NCCCCCOC)NCCCCCOC.
What is the InChIKey of 1,2,3-tris(5-methoxypentyl)guanidine?
The InChIKey is RPPVPYTXPJJGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O3/c1-23-16-10-4-7-13-20-19(21-14-8-5-11-17-24-2)22-15-9-6-12-18-25-3/h4-18H2,1-3H3,(H2,20,21,22).
What are the key properties of 1,2,3-tris(5-methoxypentyl)guanidine?
1,2,3-tris(5-methoxypentyl)guanidine has a molecular weight of 359.56 g/mol, XLogP of 2.97, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(5-methoxypentyl)guanidine is sourced from PubChem (CID 102441761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).