1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine

C12H23N — CID 54175942

IUPAC1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine
SMILESC=C1C(C)(C)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H23N/c1-9-10(2,3)12(6,7)13(8)11(9,4)5/h1H2,2-8H3
InChIKeyOYJJYXTUQCYGGM-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds

About 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine

1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine (PubChem CID 54175942) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine.

Molecular Properties

Compound Name1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine
PubChem CID54175942
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine
SMILESC=C1C(C)(C)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C12H23N/c1-9-10(2,3)12(6,7)13(8)11(9,4)5/h1H2,2-8H3
InChIKeyOYJJYXTUQCYGGM-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine?
The IUPAC name of 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine (CID 54175942) is 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine.
What is the SMILES notation for 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine?
The canonical SMILES for 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine is C=C1C(C)(C)N(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine?
The InChIKey is OYJJYXTUQCYGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9-10(2,3)12(6,7)13(8)11(9,4)5/h1H2,2-8H3.
What are the key properties of 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine?
1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,5,5-heptamethyl-4-methylidenepyrrolidine is sourced from PubChem (CID 54175942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).