2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine

C10H17N3 — CID 89212599

IUPAC2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1=CCC=C1)N(C)C
InChIInChI=1S/C10H17N3/c1-12(2)10(13(3)4)11-9-7-5-6-8-9/h5,7-8H,6H2,1-4H3
InChIKeyAQIHTFGGARDYEJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.31
Rot. Bonds1

About 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine

2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine (PubChem CID 89212599) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine
PubChem CID89212599
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1=CCC=C1)N(C)C
InChIInChI=1S/C10H17N3/c1-12(2)10(13(3)4)11-9-7-5-6-8-9/h5,7-8H,6H2,1-4H3
InChIKeyAQIHTFGGARDYEJ-UHFFFAOYSA-N
XLogP1.31
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine (CID 89212599) is 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine is CN(C)C(=NC1=CCC=C1)N(C)C.
What is the InChIKey of 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine?
The InChIKey is AQIHTFGGARDYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12(2)10(13(3)4)11-9-7-5-6-8-9/h5,7-8H,6H2,1-4H3.
What are the key properties of 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine?
2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine has a molecular weight of 179.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 89212599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).