2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine

C18H27N — CID 20672910

IUPAC2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine
SMILESC=c1cc(C)c(=C2N(C)CC(C)(C)C2(C)C)c(C)c1
InChIInChI=1S/C18H27N/c1-12-9-13(2)15(14(3)10-12)16-18(6,7)17(4,5)11-19(16)8/h9-10H,1,11H2,2-8H3
InChIKeyRNIMROCXUFWNBC-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.82
Rot. Bonds

About 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine

2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine (PubChem CID 20672910) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine
PubChem CID20672910
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine
SMILESC=c1cc(C)c(=C2N(C)CC(C)(C)C2(C)C)c(C)c1
InChIInChI=1S/C18H27N/c1-12-9-13(2)15(14(3)10-12)16-18(6,7)17(4,5)11-19(16)8/h9-10H,1,11H2,2-8H3
InChIKeyRNIMROCXUFWNBC-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine?
The IUPAC name of 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine (CID 20672910) is 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine.
What is the SMILES notation for 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine?
The canonical SMILES for 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine is C=c1cc(C)c(=C2N(C)CC(C)(C)C2(C)C)c(C)c1.
What is the InChIKey of 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine?
The InChIKey is RNIMROCXUFWNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-12-9-13(2)15(14(3)10-12)16-18(6,7)17(4,5)11-19(16)8/h9-10H,1,11H2,2-8H3.
What are the key properties of 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine?
2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-1,3,3,4,4-pentamethylpyrrolidine is sourced from PubChem (CID 20672910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).