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

C20H23N7 — CID 161419974

IUPAC1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
SMILESCCCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1
InChIInChI=1S/C20H23N7/c1-2-11-26(23-14-5-6-15-23)20(21-22-12-3-4-13-22)27(24-16-7-8-17-24)25-18-9-10-19-25/h3-10,12-19H,2,11H2,1H3
InChIKeyVWPFPIWBRUEPOI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.16
Rot. Bonds6

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

1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine (PubChem CID 161419974) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine.

Molecular Properties

Compound Name1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
PubChem CID161419974
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
SMILESCCCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1
InChIInChI=1S/C20H23N7/c1-2-11-26(23-14-5-6-15-23)20(21-22-12-3-4-13-22)27(24-16-7-8-17-24)25-18-9-10-19-25/h3-10,12-19H,2,11H2,1H3
InChIKeyVWPFPIWBRUEPOI-UHFFFAOYSA-N
XLogP3.16
TPSA38.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.16
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-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The IUPAC name of 1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine (CID 161419974) is 1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine.
What is the SMILES notation for 1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The canonical SMILES for 1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine is CCCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1.
What is the InChIKey of 1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The InChIKey is VWPFPIWBRUEPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-2-11-26(23-14-5-6-15-23)20(21-22-12-3-4-13-22)27(24-16-7-8-17-24)25-18-9-10-19-25/h3-10,12-19H,2,11H2,1H3.
What are the key properties of 1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine has a molecular weight of 361.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine is sourced from PubChem (CID 161419974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).