1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine

C19H21N7 — CID 68863734

IUPAC1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
SMILESCCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1
InChIInChI=1S/C19H21N7/c1-2-25(22-13-5-6-14-22)19(20-21-11-3-4-12-21)26(23-15-7-8-16-23)24-17-9-10-18-24/h3-18H,2H2,1H3
InChIKeyIUOOTCNJOJOLIS-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.77
Rot. Bonds5

About 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine

1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine (PubChem CID 68863734) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
PubChem CID68863734
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
SMILESCCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1
InChIInChI=1S/C19H21N7/c1-2-25(22-13-5-6-14-22)19(20-21-11-3-4-12-21)26(23-15-7-8-16-23)24-17-9-10-18-24/h3-18H,2H2,1H3
InChIKeyIUOOTCNJOJOLIS-UHFFFAOYSA-N
XLogP2.77
TPSA38.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The IUPAC name of 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine (CID 68863734) is 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine.
What is the SMILES notation for 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The canonical SMILES for 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine is CCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1.
What is the InChIKey of 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The InChIKey is IUOOTCNJOJOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-2-25(22-13-5-6-14-22)19(20-21-11-3-4-12-21)26(23-15-7-8-16-23)24-17-9-10-18-24/h3-18H,2H2,1H3.
What are the key properties of 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine has a molecular weight of 347.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine is sourced from PubChem (CID 68863734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).