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

C18H19N7 — CID 68864714

IUPAC1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
SMILESCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1
InChIInChI=1S/C18H19N7/c1-20(22-12-4-5-13-22)18(19-21-10-2-3-11-21)25(23-14-6-7-15-23)24-16-8-9-17-24/h2-17H,1H3
InChIKeyNRUCZHHXJOAVSX-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.38
Rot. Bonds4

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

1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine (PubChem CID 68864714) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine.

Molecular Properties

Compound Name1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
PubChem CID68864714
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
SMILESCN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1
InChIInChI=1S/C18H19N7/c1-20(22-12-4-5-13-22)18(19-21-10-2-3-11-21)25(23-14-6-7-15-23)24-16-8-9-17-24/h2-17H,1H3
InChIKeyNRUCZHHXJOAVSX-UHFFFAOYSA-N
XLogP2.38
TPSA38.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.38
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-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The IUPAC name of 1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine (CID 68864714) is 1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine.
What is the SMILES notation for 1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The canonical SMILES for 1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine is CN(C(=Nn1cccc1)N(n1cccc1)n1cccc1)n1cccc1.
What is the InChIKey of 1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
The InChIKey is NRUCZHHXJOAVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-20(22-12-4-5-13-22)18(19-21-10-2-3-11-21)25(23-14-6-7-15-23)24-16-8-9-17-24/h2-17H,1H3.
What are the key properties of 1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine?
1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine has a molecular weight of 333.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine is sourced from PubChem (CID 68864714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).