1-tert-butyl-3,4-dimethylidenepyrrolidine

C10H17N — CID 12607507

IUPAC1-tert-butyl-3,4-dimethylidenepyrrolidine
SMILESC=C1CN(C(C)(C)C)CC1=C
InChIInChI=1S/C10H17N/c1-8-6-11(7-9(8)2)10(3,4)5/h1-2,6-7H2,3-5H3
InChIKeyLXAYDSNWQJSZHK-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.21
Rot. Bonds

About 1-tert-butyl-3,4-dimethylidenepyrrolidine

1-tert-butyl-3,4-dimethylidenepyrrolidine (PubChem CID 12607507) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dimethylidenepyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3,4-dimethylidenepyrrolidine
PubChem CID12607507
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-tert-butyl-3,4-dimethylidenepyrrolidine
SMILESC=C1CN(C(C)(C)C)CC1=C
InChIInChI=1S/C10H17N/c1-8-6-11(7-9(8)2)10(3,4)5/h1-2,6-7H2,3-5H3
InChIKeyLXAYDSNWQJSZHK-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-dimethylidenepyrrolidine?
The IUPAC name of 1-tert-butyl-3,4-dimethylidenepyrrolidine (CID 12607507) is 1-tert-butyl-3,4-dimethylidenepyrrolidine.
What is the SMILES notation for 1-tert-butyl-3,4-dimethylidenepyrrolidine?
The canonical SMILES for 1-tert-butyl-3,4-dimethylidenepyrrolidine is C=C1CN(C(C)(C)C)CC1=C.
What is the InChIKey of 1-tert-butyl-3,4-dimethylidenepyrrolidine?
The InChIKey is LXAYDSNWQJSZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-11(7-9(8)2)10(3,4)5/h1-2,6-7H2,3-5H3.
What are the key properties of 1-tert-butyl-3,4-dimethylidenepyrrolidine?
1-tert-butyl-3,4-dimethylidenepyrrolidine has a molecular weight of 151.25 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dimethylidenepyrrolidine is sourced from PubChem (CID 12607507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).