1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine

C11H19N3 — CID 174688700

IUPAC1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine
SMILESC/N=C(\N(C)C)N(C)C1=C(C)C=CC1
InChIInChI=1S/C11H19N3/c1-9-7-6-8-10(9)14(5)11(12-2)13(3)4/h6-7H,8H2,1-5H3/b12-11+
InChIKeyHQASXZILCQYBPI-VAWYXSNFSA-N
MW193.29 g/mol
LogP1.70
Rot. Bonds1

About 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine

1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine (PubChem CID 174688700) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine.

Molecular Properties

Compound Name1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine
PubChem CID174688700
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine
SMILESC/N=C(\N(C)C)N(C)C1=C(C)C=CC1
InChIInChI=1S/C11H19N3/c1-9-7-6-8-10(9)14(5)11(12-2)13(3)4/h6-7H,8H2,1-5H3/b12-11+
InChIKeyHQASXZILCQYBPI-VAWYXSNFSA-N
XLogP1.70
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.70
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 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine?
The IUPAC name of 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine (CID 174688700) is 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine.
What is the SMILES notation for 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine?
The canonical SMILES for 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine is C/N=C(\N(C)C)N(C)C1=C(C)C=CC1.
What is the InChIKey of 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine?
The InChIKey is HQASXZILCQYBPI-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-7-6-8-10(9)14(5)11(12-2)13(3)4/h6-7H,8H2,1-5H3/b12-11+.
What are the key properties of 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine?
1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine has a molecular weight of 193.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetramethyl-3-(2-methylcyclopenta-1,3-dien-1-yl)guanidine is sourced from PubChem (CID 174688700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).